3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N,N-diethyl-4-oxidanylidene-1-prop-2-enyl-quinoline-6-sulfonamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N,N-diethyl-4-oxidanylidene-1-prop-2-enyl-quinoline-6-sulfonamide Openeye Name: 1-allyl-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethyl-4-oxo-quinoline-6-sulfonamide CAS Name: 3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-N,N-diethyl-4-oxo-1-prop-2-enyl-6-quinolinesulfonamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethyl-4-oxo-1-prop-2-enylquinoline-6-sulfonamide Traditional Name: 1-allyl-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethyl-4-keto-quinoline-6-sulfonamide Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C=C(C2=O)C(=O)N3CCC4=CC=CC=C4C3)CC=C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C=C(C2=O)C(=O)N3CCC4=CC=CC=C4C3)CC=C

InChI

InChI=1S/C26H29N3O4S/c1-4-14-27-18-23(26(31)28-15-13-19-9-7-8-10-20(19)17-28)25(30)22-16-21(11-12-24(22)27)34(32,33)29(5-2)6-3/h4,7-12,16,18H,1,5-6,13-15,17H2,2-3H3