3-methoxy-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide

Systemtic Name: 3-methoxy-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide Openeye Name: 3-methoxy-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide CAS Name: 3-methoxy-N-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide IUPAC Name: 3-methoxy-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide Traditional Name: N-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)-3-methoxy-benzenesulfonamide Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)OC

Isomeric SMILES

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)OC

InChI

InChI=1S/C20H24N2O4S/c1-14(2)20(23)22-10-9-15-7-8-17(11-16(15)13-22)21-27(24,25)19-6-4-5-18(12-19)26-3/h4-8,11-12,14,21H,9-10,13H2,1-3H3