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

Systemtic Name: N-[9-(3-methoxy-4-nitro-phenyl)-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-2-yl]-3-piperidin-1-yl-propane-1-sulfonamide Openeye Name: N-[9-(3-methoxy-4-nitro-phenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-2-yl]-3-(1-piperidyl)propane-1-sulfonamide CAS Name: N-[9-(3-methoxy-4-nitrophenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-2-yl]-3-(1-piperidinyl)-1-propanesulfonamide IUPAC Name: N-[9-(3-methoxy-4-nitrophenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-2-yl]-3-piperidin-1-ylpropane-1-sulfonamide Traditional Name: N-[6-keto-9-(3-methoxy-4-nitro-phenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-2-yl]-3-piperidino-propane-1-sulfonamide Formula: C28H31N5O6S MolecularWeight: 565.64064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=C(N3)C=C(C=C4)NS(=O)(=O)CCCN5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=C(N3)C=C(C=C4)NS(=O)(=O)CCCN5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C28H31N5O6S/c1-39-27-17-20(7-11-26(27)33(35)36)19-6-9-22-24(16-19)29-25-18-21(8-10-23(25)30-28(22)34)31-40(37,38)15-5-14-32-12-3-2-4-13-32/h6-11,16-18,29,31H,2-5,12-15H2,1H3,(H,30,34)