4-[[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[1-(4-tert-butylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[1-(4-tert-butylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[1-(4-tert-butylphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[1-(4-tert-butylphenyl)sulfonylisonipecotoyl]amino]-3-methyl-benzoic acid Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C24H30N2O5S/c1-16-15-18(23(28)29)5-10-21(16)25-22(27)17-11-13-26(14-12-17)32(30,31)20-8-6-19(7-9-20)24(2,3)4/h5-10,15,17H,11-14H2,1-4H3,(H,25,27)(H,28,29)