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

Systemtic Name: N-[1-(4-bromophenyl)ethyl]-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[1-(4-bromophenyl)ethyl]-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[1-(4-bromophenyl)ethyl]-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[1-(4-bromophenyl)ethyl]-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[1-(4-bromophenyl)ethyl]-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C26H27BrN2O5S MolecularWeight: 559.47198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H27BrN2O5S/c1-17(18-8-10-21(27)11-9-18)28-26(30)23-14-19-6-4-5-7-20(19)16-29(23)35(31,32)22-12-13-24(33-2)25(15-22)34-3/h4-13,15,17,23H,14,16H2,1-3H3,(H,28,30)