methyl 4-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(3-nitrophenyl)sulfonylpiperazino]acetyl]amino]benzoic acid methyl ester Formula: C20H22N4O7S MolecularWeight: 462.47628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

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