3-[[1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-5-methyl-3,6-dihydro-2H-pyridin-2-yl]carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[[1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-5-methyl-3,6-dihydro-2H-pyridin-2-yl]carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[isopropyl-[1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-5-methyl-3,6-dihydro-2H-pyridine-2-carbonyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[[1-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-5-methyl-3,6-dihydro-2H-pyridin-2-yl]-oxomethyl]-propan-2-ylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[1-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-5-methyl-3,6-dihydro-2H-pyridine-2-carbonyl]-propan-2-ylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[isopropyl-[1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-5-methyl-3,6-dihydro-2H-pyridine-2-carbonyl]amino]-5-phenyl-2-thenoic acid Formula: C31H36N2O6S2 MolecularWeight: 596.75734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(N(C1)S(=O)(=O)C2=C(C(=C(C=C2C)OC)C)C)C(=O)N(C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O)C(C)C

Isomeric SMILES

CC1=CCC(N(C1)S(=O)(=O)C2=C(C(=C(C=C2C)OC)C)C)C(=O)N(C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O)C(C)C

InChI

InChI=1S/C31H36N2O6S2/c1-18(2)33(25-16-27(40-28(25)31(35)36)23-11-9-8-10-12-23)30(34)24-14-13-19(3)17-32(24)41(37,38)29-20(4)15-26(39-7)21(5)22(29)6/h8-13,15-16,18,24H,14,17H2,1-7H3,(H,35,36)