[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 4-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-methylpiperidino)sulfonylbenzoic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C22H25N3O7S MolecularWeight: 475.5148

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O7S/c1-15-9-11-24(12-10-15)33(30,31)19-7-4-17(5-8-19)22(27)32-14-21(26)23-18-6-3-16(2)20(13-18)25(28)29/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,26)