N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxidanylidene-1H-quinoline-6-sulfonamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxidanylidene-1H-quinoline-6-sulfonamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxo-1H-quinoline-6-sulfonamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxo-1H-quinoline-6-sulfonamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxo-1H-quinoline-6-sulfonamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-keto-1H-quinoline-6-sulfonamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CCNS(=O)(=O)C3=CC4=C(C=C3)NC(=O)C=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CCNS(=O)(=O)C3=CC4=C(C=C3)NC(=O)C=C4

InChI

InChI=1S/C20H21N3O3S/c24-20-8-5-16-13-18(6-7-19(16)22-20)27(25,26)21-10-12-23-11-9-15-3-1-2-4-17(15)14-23/h1-8,13,21H,9-12,14H2,(H,22,24)