N-[1-[(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonyl]piperidin-4-yl]pyridine-4-carboxamide

Systemtic Name: N-[1-[(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonyl]piperidin-4-yl]pyridine-4-carboxamide Openeye Name: N-[1-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)-4-piperidyl]pyridine-4-carboxamide CAS Name: N-[1-[(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-oxomethyl]-4-piperidinyl]-4-pyridinecarboxamide IUPAC Name: N-[1-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)piperidin-4-yl]pyridine-4-carboxamide Traditional Name: N-[1-(2-esyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)-4-piperidyl]isonicotinamide Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCC(CC3)NC(=O)C4=CC=NC=C4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCC(CC3)NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C23H28N4O4S/c1-2-32(30,31)27-16-19-6-4-3-5-18(19)15-21(27)23(29)26-13-9-20(10-14-26)25-22(28)17-7-11-24-12-8-17/h3-8,11-12,20-21H,2,9-10,13-16H2,1H3,(H,25,28)