propyl 4-[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: propyl 4-[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: propyl 4-[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(2-methyl-5-nitro-phenyl)sulfonylisonipecotoyl]amino]benzoic acid propyl ester Formula: C23H27N3O7S MolecularWeight: 489.54138

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C23H27N3O7S/c1-3-14-33-23(28)18-5-7-19(8-6-18)24-22(27)17-10-12-25(13-11-17)34(31,32)21-15-20(26(29)30)9-4-16(21)2/h4-9,15,17H,3,10-14H2,1-2H3,(H,24,27)