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

Systemtic Name: 2-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-5-(1-methylsulfonylpiperidin-4-yl)thiophene-3-carboxylic acid Openeye Name: 2-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-(1-methylsulfonyl-4-piperidyl)thiophene-3-carboxylic acid CAS Name: 2-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-5-(1-methylsulfonyl-4-piperidinyl)-3-thiophenecarboxylic acid IUPAC Name: 2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-(1-methylsulfonylpiperidin-4-yl)thiophene-3-carboxylic acid Traditional Name: 2-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-(1-mesyl-4-piperidyl)-3-thenoic acid Formula: C22H34N2O5S2 MolecularWeight: 470.64576

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=C(C=C(S2)C3CCN(CC3)S(=O)(=O)C)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=C(C=C(S2)C3CCN(CC3)S(=O)(=O)C)C(=O)O)C(C)C

InChI

InChI=1S/C22H34N2O5S2/c1-14(2)24(20(25)17-7-5-15(3)6-8-17)21-18(22(26)27)13-19(30-21)16-9-11-23(12-10-16)31(4,28)29/h13-17H,5-12H2,1-4H3,(H,26,27)