N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-methyl-2-[4-(1-piperidylsulfonyl)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-methyl-2-[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-methyl-2-(4-piperidin-1-ylsulfonylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-methyl-2-(4-piperidinosulfonylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC2=CC=CC=C2CN1C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CNC(=O)C1CC2=CC=CC=C2CN1C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H27N3O4S/c1-24-22(27)21-15-18-7-3-4-8-19(18)16-26(21)23(28)17-9-11-20(12-10-17)31(29,30)25-13-5-2-6-14-25/h3-4,7-12,21H,2,5-6,13-16H2,1H3,(H,24,27)