N-[(3R)-2-oxidanylideneazepan-3-yl]-1-(phenylsulfonyl)indole-3-carboxamide

Systemtic Name: N-[(3R)-2-oxidanylideneazepan-3-yl]-1-(phenylsulfonyl)indole-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[(3R)-2-oxoazepan-3-yl]indole-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[(3R)-2-oxo-3-azepanyl]-3-indolecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[(3R)-2-oxoazepan-3-yl]indole-3-carboxamide Traditional Name: 1-besyl-N-[(3R)-2-ketoazepan-3-yl]indole-3-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)NC(=O)C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O4S/c25-20(23-18-11-6-7-13-22-21(18)26)17-14-24(19-12-5-4-10-16(17)19)29(27,28)15-8-2-1-3-9-15/h1-5,8-10,12,14,18H,6-7,11,13H2,(H,22,26)(H,23,25)/t18-/m1/s1