N-[2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-(2-methoxy-5-nitro-phenyl)methanesulfonamide

Systemtic Name: N-[2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-(2-methoxy-5-nitro-phenyl)methanesulfonamide Openeye Name: N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl]-N-(2-methoxy-5-nitro-phenyl)methanesulfonamide CAS Name: N-[2-[4-(diphenylmethyl)-1-piperazinyl]-2-oxoethyl]-N-(2-methoxy-5-nitrophenyl)methanesulfonamide IUPAC Name: N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-(2-methoxy-5-nitrophenyl)methanesulfonamide Traditional Name: N-[2-(4-benzhydrylpiperazino)-2-keto-ethyl]-N-(2-methoxy-5-nitro-phenyl)methanesulfonamide Formula: C27H30N4O6S MolecularWeight: 538.6153

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C27H30N4O6S/c1-37-25-14-13-23(31(33)34)19-24(25)30(38(2,35)36)20-26(32)28-15-17-29(18-16-28)27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19,27H,15-18,20H2,1-2H3