N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-keto-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)S(=O)(=O)NCCCN3CCC4=CC=CC=C4C3)NC(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2)S(=O)(=O)NCCCN3CCC4=CC=CC=C4C3)NC(=O)C1

InChI

InChI=1S/C22H27N3O3S/c26-22-8-3-7-18-15-20(9-10-21(18)24-22)29(27,28)23-12-4-13-25-14-11-17-5-1-2-6-19(17)16-25/h1-2,5-6,9-10,15,23H,3-4,7-8,11-14,16H2,(H,24,26)