N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethyl-butanamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethyl-butanamide Openeye Name: N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethyl-butanamide CAS Name: N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethylbutanamide IUPAC Name: N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethylbutanamide Traditional Name: N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethyl-butyramide Formula: C21H25ClN2O3S MolecularWeight: 420.9528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=CC2=C(CCN(C2)S(=O)(=O)C3=CC=C(C=C3)Cl)C=C1

Isomeric SMILES

CCC(CC)C(=O)NC1=CC2=C(CCN(C2)S(=O)(=O)C3=CC=C(C=C3)Cl)C=C1

InChI

InChI=1S/C21H25ClN2O3S/c1-3-15(4-2)21(25)23-19-8-5-16-11-12-24(14-17(16)13-19)28(26,27)20-9-6-18(22)7-10-20/h5-10,13,15H,3-4,11-12,14H2,1-2H3,(H,23,25)