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

Systemtic Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide Traditional Name: 3-besyl-N-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)propionamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O4S/c1-16(2)22(26)24-12-10-17-8-9-19(14-18(17)15-24)23-21(25)11-13-29(27,28)20-6-4-3-5-7-20/h3-9,14,16H,10-13,15H2,1-2H3,(H,23,25)