N-[(3Z)-3-[[[4-(azepan-1-ylmethyl)phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1H-indol-5-yl]propane-1-sulfonamide

Systemtic Name: N-[(3Z)-3-[[[4-(azepan-1-ylmethyl)phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1H-indol-5-yl]propane-1-sulfonamide Openeye Name: N-[(3Z)-3-[[4-(azepan-1-ylmethyl)anilino]-phenyl-methylene]-2-oxo-indolin-5-yl]propane-1-sulfonamide CAS Name: N-[(3Z)-3-[[4-(1-azepanylmethyl)anilino]-phenylmethylidene]-2-oxo-1H-indol-5-yl]-1-propanesulfonamide IUPAC Name: N-[(3Z)-3-[[4-(azepan-1-ylmethyl)anilino]-phenylmethylidene]-2-oxo-1H-indol-5-yl]propane-1-sulfonamide Traditional Name: N-[(3Z)-3-[[4-(azepan-1-ylmethyl)anilino]-phenyl-methylene]-2-keto-indolin-5-yl]propane-1-sulfonamide Formula: C31H36N4O3S MolecularWeight: 544.70754

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC1=CC2=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3)NC4=CC=C(C=C4)CN5CCCCCC5

Isomeric SMILES

CCCS(=O)(=O)NC1=CC\2=C(C=C1)NC(=O)/C2=C(/C3=CC=CC=C3)\NC4=CC=C(C=C4)CN5CCCCCC5

InChI

InChI=1S/C31H36N4O3S/c1-2-20-39(37,38)34-26-16-17-28-27(21-26)29(31(36)33-28)30(24-10-6-5-7-11-24)32-25-14-12-23(13-15-25)22-35-18-8-3-4-9-19-35/h5-7,10-17,21,32,34H,2-4,8-9,18-20,22H2,1H3,(H,33,36)/b30-29-