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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-keto-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)S(=O)(=O)NCCN3CCC4=CC=CC=C4C3)NC(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2)S(=O)(=O)NCCN3CCC4=CC=CC=C4C3)NC(=O)C1

InChI

InChI=1S/C21H25N3O3S/c25-21-7-3-6-17-14-19(8-9-20(17)23-21)28(26,27)22-11-13-24-12-10-16-4-1-2-5-18(16)15-24/h1-2,4-5,8-9,14,22H,3,6-7,10-13,15H2,(H,23,25)