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

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-propyl-pentanamide Openeye Name: 2-propyl-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]-2-propylpentanamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-propylpentanamide Traditional Name: 2-propyl-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)valeramide Formula: C24H32N2O3S MolecularWeight: 428.58748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O3S/c1-4-6-20(7-5-2)24(27)25-22-11-10-19-14-15-26(17-21(19)16-22)30(28,29)23-12-8-18(3)9-13-23/h8-13,16,20H,4-7,14-15,17H2,1-3H3,(H,25,27)