3-[(4-methylcyclohexyl)carbonyl-(1-methylsulfonylpiperidin-4-yl)amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-(1-methylsulfonylpiperidin-4-yl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(4-methylcyclohexanecarbonyl)-(1-methylsulfonyl-4-piperidyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-(1-methylsulfonyl-4-piperidinyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-(1-methylsulfonylpiperidin-4-yl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(1-mesyl-4-piperidyl)-(4-methylcyclohexanecarbonyl)amino]-5-phenyl-2-thenoic acid Formula: C25H32N2O5S2 MolecularWeight: 504.66198

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2CCN(CC2)S(=O)(=O)C)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2CCN(CC2)S(=O)(=O)C)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H32N2O5S2/c1-17-8-10-19(11-9-17)24(28)27(20-12-14-26(15-13-20)34(2,31)32)21-16-22(33-23(21)25(29)30)18-6-4-3-5-7-18/h3-7,16-17,19-20H,8-15H2,1-2H3,(H,29,30)