4-phenyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)butanamide

Systemtic Name: 4-phenyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)butanamide Openeye Name: 4-phenyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)butanamide CAS Name: 4-phenyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)butanamide IUPAC Name: 4-phenyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)butanamide Traditional Name: 4-phenyl-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)butyramide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3S/c1-2-15-28(26,27)24-14-13-19-11-12-21(16-20(19)17-24)23-22(25)10-6-9-18-7-4-3-5-8-18/h3-5,7-8,11-12,16H,2,6,9-10,13-15,17H2,1H3,(H,23,25)