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

Systemtic Name: 5-[[[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[1-(4-tert-butylphenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[[1-(4-tert-butylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[1-(4-tert-butylphenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[1-(4-tert-butylphenyl)sulfonylisonipecotoyl]amino]methyl]-2-methoxy-benzoic acid Formula: C25H32N2O6S MolecularWeight: 488.59638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C25H32N2O6S/c1-25(2,3)19-6-8-20(9-7-19)34(31,32)27-13-11-18(12-14-27)23(28)26-16-17-5-10-22(33-4)21(15-17)24(29)30/h5-10,15,18H,11-14,16H2,1-4H3,(H,26,28)(H,29,30)