N-[(4-bromophenyl)methyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[(4-bromophenyl)methyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[(4-bromophenyl)methyl]-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[(4-bromophenyl)methyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[(4-bromophenyl)methyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(4-bromobenzyl)-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H23BrN2O3S MolecularWeight: 499.42002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCC4=CC=C(C=C4)Br

InChI

InChI=1S/C24H23BrN2O3S/c1-17-6-12-22(13-7-17)31(29,30)27-16-20-5-3-2-4-19(20)14-23(27)24(28)26-15-18-8-10-21(25)11-9-18/h2-13,23H,14-16H2,1H3,(H,26,28)