(3R)-2-(azepan-1-ylsulfonyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-2-(azepan-1-ylsulfonyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-2-(azepan-1-ylsulfonyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-2-(1-azepanylsulfonyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-2-(azepan-1-ylsulfonyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-2-(azepan-1-ylsulfonyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CNC(=O)[C@H]1CC2=CC=CC=C2CN1S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C17H25N3O3S/c1-18-17(21)16-12-14-8-4-5-9-15(14)13-20(16)24(22,23)19-10-6-2-3-7-11-19/h4-5,8-9,16H,2-3,6-7,10-13H2,1H3,(H,18,21)/t16-/m1/s1