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

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-phenoxy-propanamide Openeye Name: 2-phenoxy-N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-phenoxypropanamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-phenoxypropanamide Traditional Name: 2-phenoxy-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)propionamide Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C(C)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C(C)OC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O4S/c1-18-8-12-24(13-9-18)32(29,30)27-15-14-20-10-11-22(16-21(20)17-27)26-25(28)19(2)31-23-6-4-3-5-7-23/h3-13,16,19H,14-15,17H2,1-2H3,(H,26,28)