N-[2-[4-(4-chlorophenyl)carbonylpiperidin-1-yl]ethyl]-5-cyano-2-methoxy-benzamide; methanesulfonate

Systemtic Name: N-[2-[4-(4-chlorophenyl)carbonylpiperidin-1-yl]ethyl]-5-cyano-2-methoxy-benzamide; methanesulfonate Openeye Name: N-[2-[4-(4-chlorobenzoyl)-1-piperidyl]ethyl]-5-cyano-2-methoxy-benzamide; methanesulfonate CAS Name: N-[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperidinyl]ethyl]-5-cyano-2-methoxybenzamide; methanesulfonate IUPAC Name: N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-5-cyano-2-methoxybenzamide; methanesulfonate Traditional Name: N-[2-[4-(4-chlorobenzoyl)piperidino]ethyl]-5-cyano-2-methoxy-benzamide mesylate Formula: C24H27ClN3O6S- MolecularWeight: 521.00568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C#N)C(=O)NCCN2CCC(CC2)C(=O)C3=CC=C(C=C3)Cl.CS(=O)(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C#N)C(=O)NCCN2CCC(CC2)C(=O)C3=CC=C(C=C3)Cl.CS(=O)(=O)[O-]

InChI

InChI=1S/C23H24ClN3O3.CH4O3S/c1-30-21-7-2-16(15-25)14-20(21)23(29)26-10-13-27-11-8-18(9-12-27)22(28)17-3-5-19(24)6-4-17;1-5(2,3)4/h2-7,14,18H,8-13H2,1H3,(H,26,29);1H3,(H,2,3,4)/p-1