N-(5-chloranyl-2-methoxy-phenyl)-4-methyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-4-methyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-3-nitro-benzenesulfonamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-4-methyl-3-nitro-N-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]benzenesulfonamide CAS Name: N-(5-chloro-2-methoxyphenyl)-4-methyl-N-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-4-methyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-3-nitrobenzenesulfonamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-N-[2-keto-2-(4-tosylpiperazino)ethyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C27H29ClN4O8S2 MolecularWeight: 637.12416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN(C3=C(C=CC(=C3)Cl)OC)S(=O)(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN(C3=C(C=CC(=C3)Cl)OC)S(=O)(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C27H29ClN4O8S2/c1-19-4-8-22(9-5-19)41(36,37)30-14-12-29(13-15-30)27(33)18-31(25-16-21(28)7-11-26(25)40-3)42(38,39)23-10-6-20(2)24(17-23)32(34)35/h4-11,16-17H,12-15,18H2,1-3H3