4-[[1-(5-tert-butyl-2-methyl-phenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[[1-(5-tert-butyl-2-methyl-phenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[1-(5-tert-butyl-2-methyl-phenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[1-(5-tert-butyl-2-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[1-(5-tert-butyl-2-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[1-(5-tert-butyl-2-methyl-phenyl)sulfonylisonipecotoyl]amino]-3-methyl-benzoic acid Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C

InChI

InChI=1S/C25H32N2O5S/c1-16-6-8-20(25(3,4)5)15-22(16)33(31,32)27-12-10-18(11-13-27)23(28)26-21-9-7-19(24(29)30)14-17(21)2/h6-9,14-15,18H,10-13H2,1-5H3,(H,26,28)(H,29,30)