(3S)-2-methylsulfonyl-N-(3-propan-2-yloxypropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-methylsulfonyl-N-(3-propan-2-yloxypropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-(3-isopropoxypropyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-methylsulfonyl-N-(3-propan-2-yloxypropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-methylsulfonyl-N-(3-propan-2-yloxypropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(3-isopropoxypropyl)-2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C17H26N2O4S MolecularWeight: 354.46434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O4S/c1-13(2)23-10-6-9-18-17(20)16-11-14-7-4-5-8-15(14)12-19(16)24(3,21)22/h4-5,7-8,13,16H,6,9-12H2,1-3H3,(H,18,20)/t16-/m0/s1