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

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]methanesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-N-(2-methoxy-5-nitro-phenyl)methanesulfonamide CAS Name: N-(2-methoxy-5-nitrophenyl)-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]methanesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methoxy-5-nitrophenyl)methanesulfonamide Traditional Name: N-[2-(4-benzylpiperazino)-2-keto-ethyl]-N-(2-methoxy-5-nitro-phenyl)methanesulfonamide Formula: C21H26N4O6S MolecularWeight: 462.51934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C21H26N4O6S/c1-31-20-9-8-18(25(27)28)14-19(20)24(32(2,29)30)16-21(26)23-12-10-22(11-13-23)15-17-6-4-3-5-7-17/h3-9,14H,10-13,15-16H2,1-2H3