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

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-(1-methylpiperidin-4-yl)amino]-5-(4-nitrophenyl)thiophene-2-carboxylic acid Openeye Name: 3-[(4-methylcyclohexanecarbonyl)-(1-methyl-4-piperidyl)amino]-5-(4-nitrophenyl)thiophene-2-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-(1-methyl-4-piperidinyl)amino]-5-(4-nitrophenyl)-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-(1-methylpiperidin-4-yl)amino]-5-(4-nitrophenyl)thiophene-2-carboxylic acid Traditional Name: 3-[(4-methylcyclohexanecarbonyl)-(1-methyl-4-piperidyl)amino]-5-(4-nitrophenyl)-2-thenoic acid Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2CCN(CC2)C)C3=C(SC(=C3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2CCN(CC2)C)C3=C(SC(=C3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C25H31N3O5S/c1-16-3-5-18(6-4-16)24(29)27(19-11-13-26(2)14-12-19)21-15-22(34-23(21)25(30)31)17-7-9-20(10-8-17)28(32)33/h7-10,15-16,18-19H,3-6,11-14H2,1-2H3,(H,30,31)