N-[5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-methyl-phenyl]benzenesulfonamide

Systemtic Name: N-[5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-methyl-phenyl]benzenesulfonamide Openeye Name: N-[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methyl-phenyl]benzenesulfonamide CAS Name: N-[5-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-methylphenyl]benzenesulfonamide IUPAC Name: N-[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylphenyl]benzenesulfonamide Traditional Name: N-[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methyl-phenyl]benzenesulfonamide Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H22N2O3S/c1-17-11-12-19(15-22(17)24-29(27,28)21-9-3-2-4-10-21)23(26)25-14-13-18-7-5-6-8-20(18)16-25/h2-12,15,24H,13-14,16H2,1H3