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

Systemtic Name: methyl 3-[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate CAS Name: 3-[[[1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 3-[[1-(2-methyl-5-nitro-phenyl)sulfonylisonipecotoyl]amino]benzoic acid methyl ester Formula: C21H23N3O7S MolecularWeight: 461.48822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C21H23N3O7S/c1-14-6-7-18(24(27)28)13-19(14)32(29,30)23-10-8-15(9-11-23)20(25)22-17-5-3-4-16(12-17)21(26)31-2/h3-7,12-13,15H,8-11H2,1-2H3,(H,22,25)