N-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-2-methoxy-5-methyl-3-sulfanyl-benzamide hydrochloride

Systemtic Name: N-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-2-methoxy-5-methyl-3-sulfanyl-benzamide hydrochloride Openeye Name: N-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-2-methoxy-5-methyl-3-sulfanyl-benzamide hydrochloride CAS Name: N-[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]ethyl]-3-mercapto-2-methoxy-5-methylbenzamide hydrochloride IUPAC Name: N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methoxy-5-methyl-3-sulfanylbenzamide hydrochloride Traditional Name: N-[2-[4-(4-fluorobenzoyl)piperidino]ethyl]-3-mercapto-2-methoxy-5-methyl-benzamide hydrochloride Formula: C23H28ClFN2O3S MolecularWeight: 466.996423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)NCCN2CCC(CC2)C(=O)C3=CC=C(C=C3)F)OC)S.Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)NCCN2CCC(CC2)C(=O)C3=CC=C(C=C3)F)OC)S.Cl

InChI

InChI=1S/C23H27FN2O3S.ClH/c1-15-13-19(22(29-2)20(30)14-15)23(28)25-9-12-26-10-7-17(8-11-26)21(27)16-3-5-18(24)6-4-16;/h3-6,13-14,17,30H,7-12H2,1-2H3,(H,25,28);1H