Chemical Components in the PDB

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BT0 : Summary

Code

BT0

One-letter code

X

Molecule name

2-methoxy-N-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 2-methoxy-~{N}-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide

Formula

C19 H16 N2 O4 S

Formal charge

0

Molecular weight

368.406 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1ccccc1[S](=O)(=O)Nc2ccc3N(C)C(=O)c4cccc2c34
SMILES OpenEye OEToolkits 2.0.6 CN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4OC
Canonical SMILES CACTVS 3.385 COc1ccccc1[S](=O)(=O)Nc2ccc3N(C)C(=O)c4cccc2c34
Canonical SMILES OpenEye OEToolkits 2.0.6 CN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4OC

IUPAC InChI

InChI=1S/C19H16N2O4S/c1-21-15-11-10-14(12-6-5-7-13(18(12)15)19(21)22)20-26(23,24)17-9-4-3-8-16(17)25-2/h3-11,20H,1-2H3

IUPAC InChI key

QETWZQZUXAGMTQ-UHFFFAOYSA-N
BT0

wwPDB Information

Atom count

42 (26 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-03-07

Last modified at

2020-01-17

Status

Released

Obsoleted

Not Assigned