N-[4-[1-(quinolin-3-ylmethyl)piperidin-4-yl]carbonylphenyl]methanesulfonamide dihydrochloride

Systemtic Name: N-[4-[1-(quinolin-3-ylmethyl)piperidin-4-yl]carbonylphenyl]methanesulfonamide dihydrochloride Openeye Name: N-[4-[1-(3-quinolylmethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide dihydrochloride CAS Name: N-[4-[oxo-[1-(3-quinolinylmethyl)-4-piperidinyl]methyl]phenyl]methanesulfonamide dihydrochloride IUPAC Name: N-[4-[1-(quinolin-3-ylmethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide dihydrochloride Traditional Name: N-[4-[1-(3-quinolylmethyl)isonipecotoyl]phenyl]methanesulfonamide dihydrochloride Formula: C23H27Cl2N3O3S MolecularWeight: 496.44978

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)C2CCN(CC2)CC3=CC4=CC=CC=C4N=C3.Cl.Cl

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)C2CCN(CC2)CC3=CC4=CC=CC=C4N=C3.Cl.Cl

InChI

InChI=1S/C23H25N3O3S.2ClH/c1-30(28,29)25-21-8-6-18(7-9-21)23(27)19-10-12-26(13-11-19)16-17-14-20-4-2-3-5-22(20)24-15-17;;/h2-9,14-15,19,25H,10-13,16H2,1H3;2*1H