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

Systemtic Name: 2-ethyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]butanamide Openeye Name: 2-ethyl-N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]butanamide CAS Name: 2-ethyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]butanamide IUPAC Name: 2-ethyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]butanamide Traditional Name: 2-ethyl-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)butyramide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S/c1-4-17(5-2)22(25)23-20-9-8-18-12-13-24(15-19(18)14-20)28(26,27)21-10-6-16(3)7-11-21/h6-11,14,17H,4-5,12-13,15H2,1-3H3,(H,23,25)