methyl 2-[[5-nitro-2-(phenylsulfonyl)-4-piperazin-1-ylcarbonyl-phenyl]amino]ethanoate

Systemtic Name: methyl 2-[[5-nitro-2-(phenylsulfonyl)-4-piperazin-1-ylcarbonyl-phenyl]amino]ethanoate Openeye Name: methyl 2-[2-(benzenesulfonyl)-5-nitro-4-(piperazine-1-carbonyl)anilino]acetate CAS Name: 2-[2-(benzenesulfonyl)-5-nitro-4-[oxo(1-piperazinyl)methyl]anilino]acetic acid methyl ester IUPAC Name: methyl 2-[2-(benzenesulfonyl)-5-nitro-4-(piperazine-1-carbonyl)anilino]acetate Traditional Name: 2-[2-besyl-5-nitro-4-(piperazine-1-carbonyl)anilino]acetic acid methyl ester Formula: C20H22N4O7S MolecularWeight: 462.47628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)N2CCNCC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CNC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)N2CCNCC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22N4O7S/c1-31-19(25)13-22-16-12-17(24(27)28)15(20(26)23-9-7-21-8-10-23)11-18(16)32(29,30)14-5-3-2-4-6-14/h2-6,11-12,21-22H,7-10,13H2,1H3