N-(3-bromophenyl)-2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(3-bromophenyl)-2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(3-bromophenyl)-2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(3-bromophenyl)-2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(3-bromophenyl)-2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(3-bromophenyl)-2-p-phenetylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H23BrN2O4S MolecularWeight: 515.41942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C24H23BrN2O4S/c1-2-31-21-10-12-22(13-11-21)32(29,30)27-16-18-7-4-3-6-17(18)14-23(27)24(28)26-20-9-5-8-19(25)15-20/h3-13,15,23H,2,14,16H2,1H3,(H,26,28)