3-(diethylamino)-N-[9-(3-methoxy-4-nitro-phenyl)-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-2-yl]propane-1-sulfonamide

Systemtic Name: 3-(diethylamino)-N-[9-(3-methoxy-4-nitro-phenyl)-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-2-yl]propane-1-sulfonamide Openeye Name: 3-(diethylamino)-N-[9-(3-methoxy-4-nitro-phenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-2-yl]propane-1-sulfonamide CAS Name: 3-(diethylamino)-N-[9-(3-methoxy-4-nitrophenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-2-yl]-1-propanesulfonamide IUPAC Name: 3-(diethylamino)-N-[9-(3-methoxy-4-nitrophenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-2-yl]propane-1-sulfonamide Traditional Name: 3-(diethylamino)-N-[6-keto-9-(3-methoxy-4-nitro-phenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-2-yl]propane-1-sulfonamide Formula: C27H31N5O6S MolecularWeight: 553.62994

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCS(=O)(=O)NC1=CC2=C(C=C1)NC(=O)C3=C(N2)C=C(C=C3)C4=CC(=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

CCN(CC)CCCS(=O)(=O)NC1=CC2=C(C=C1)NC(=O)C3=C(N2)C=C(C=C3)C4=CC(=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C27H31N5O6S/c1-4-31(5-2)13-6-14-39(36,37)30-20-9-11-22-24(17-20)28-23-15-18(7-10-21(23)27(33)29-22)19-8-12-25(32(34)35)26(16-19)38-3/h7-12,15-17,28,30H,4-6,13-14H2,1-3H3,(H,29,33)