CHEBI:96602 - N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide

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ChEBI Name N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide ChEBI ID CHEBI:96602 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C29H33N3O6S2 Net Charge 0 Average Mass 583.722 Monoisotopic Mass 583.18108 InChI InChI=1S/C29H33N3O6S2/c1-21-5-10-26(11-6-21)39(34,35)31(4)19-28-22(2)18-32(23(3)20-33)40(36,37)29-12-9-25(17-27(29)38-28)8-7-24-13-15-30-16-14-24/h5-6,9-17,22-23,28,33H,18-20H2,1-4H3/t22-,23+,28-/m1/s1 InChIKey GOIFBKSVWMRRGJ-AWVRMFGXSA-N SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC=NC=C3)O[C@@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)C)[C@@H](C)CO ChEBI Ontology Outgoing N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(2-pyridin-4-ylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide (CHEBI:96602) is a sulfonamide (CHEBI:35358) Manual Xref Database LSM-7981 LINCS View more database links