3-[(2,4-dichlorophenyl)carbonyl-propan-2-yl-amino]-5-piperidin-4-yl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(2,4-dichlorophenyl)carbonyl-propan-2-yl-amino]-5-piperidin-4-yl-thiophene-2-carboxylic acid Openeye Name: 3-[(2,4-dichlorobenzoyl)-isopropyl-amino]-5-(4-piperidyl)thiophene-2-carboxylic acid CAS Name: 3-[[(2,4-dichlorophenyl)-oxomethyl]-propan-2-ylamino]-5-(4-piperidinyl)-2-thiophenecarboxylic acid IUPAC Name: 3-[(2,4-dichlorobenzoyl)-propan-2-ylamino]-5-piperidin-4-ylthiophene-2-carboxylic acid Traditional Name: 3-[(2,4-dichlorobenzoyl)-isopropyl-amino]-5-(4-piperidyl)-2-thenoic acid Formula: C20H22Cl2N2O3S MolecularWeight: 441.37128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=C(SC(=C1)C2CCNCC2)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)N(C1=C(SC(=C1)C2CCNCC2)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H22Cl2N2O3S/c1-11(2)24(19(25)14-4-3-13(21)9-15(14)22)16-10-17(28-18(16)20(26)27)12-5-7-23-8-6-12/h3-4,9-12,23H,5-8H2,1-2H3,(H,26,27)