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

Systemtic Name: methyl 4-[[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]amino]methyl]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)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O7S/c1-31-19(25)16-7-5-15(6-8-16)14-21-20(26)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,21,26)