N-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-(4-methoxyphenyl)-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-(4-methoxyphenyl)-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-N-(4-methoxyphenyl)-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl]-N-(4-methoxyphenyl)-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-methoxyphenyl)-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[2-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-keto-ethyl]-N-(4-methoxyphenyl)-4-methyl-3-nitro-benzenesulfonamide Formula: C27H29ClN4O6S MolecularWeight: 573.06036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29ClN4O6S/c1-19-4-6-21(28)16-25(19)29-12-14-30(15-13-29)27(33)18-31(22-7-9-23(38-3)10-8-22)39(36,37)24-11-5-20(2)26(17-24)32(34)35/h4-11,16-17H,12-15,18H2,1-3H3