methyl 4-methyl-3-[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-methyl-3-[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate CAS Name: 4-methyl-3-[[[1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 4-methyl-3-[[1-(2-methyl-5-nitro-phenyl)sulfonylisonipecotoyl]amino]benzoic acid methyl ester Formula: C22H25N3O7S MolecularWeight: 475.5148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H25N3O7S/c1-14-4-6-17(22(27)32-3)12-19(14)23-21(26)16-8-10-24(11-9-16)33(30,31)20-13-18(25(28)29)7-5-15(20)2/h4-7,12-13,16H,8-11H2,1-3H3,(H,23,26)