N-(4-bromanyl-3-methyl-phenyl)-2-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-2-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H29BrN2O3S MolecularWeight: 541.49976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CC(=C(C=C4)Br)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CC(=C(C=C4)Br)C)C)C

InChI

InChI=1S/C27H29BrN2O3S/c1-16-12-17(2)20(5)26(19(16)4)34(32,33)30-15-22-9-7-6-8-21(22)14-25(30)27(31)29-23-10-11-24(28)18(3)13-23/h6-13,25H,14-15H2,1-5H3,(H,29,31)