N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]pentanamide

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]pentanamide Openeye Name: N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pentanamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]pentanamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]pentanamide Traditional Name: N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)valeramide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-3-4-5-21(24)22-19-9-8-17-12-13-23(15-18(17)14-19)27(25,26)20-10-6-16(2)7-11-20/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,22,24)