N-(2-dimethylaminoethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidyl]pyridine-3-carboxamide CAS Name: N-(2-dimethylaminoethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: N-(2-dimethylaminoethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-N-[1-(2-mesylbenzyl)-4-piperidyl]nicotinamide Formula: C23H32N4O3S MolecularWeight: 444.59018

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1CCN(CC1)CC2=CC=CC=C2S(=O)(=O)C)C(=O)C3=CN=CC=C3

Isomeric SMILES

CN(C)CCN(C1CCN(CC1)CC2=CC=CC=C2S(=O)(=O)C)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C23H32N4O3S/c1-25(2)15-16-27(23(28)19-8-6-12-24-17-19)21-10-13-26(14-11-21)18-20-7-4-5-9-22(20)31(3,29)30/h4-9,12,17,21H,10-11,13-16,18H2,1-3H3