2-methoxy-5-[[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[[1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[1-(2-methyl-5-nitro-phenyl)sulfonylisonipecotoyl]amino]methyl]benzoic acid Formula: C22H25N3O8S MolecularWeight: 491.5142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C22H25N3O8S/c1-14-3-5-17(25(29)30)12-20(14)34(31,32)24-9-7-16(8-10-24)21(26)23-13-15-4-6-19(33-2)18(11-15)22(27)28/h3-6,11-12,16H,7-10,13H2,1-2H3,(H,23,26)(H,27,28)