N-(4-bromanyl-2-methyl-phenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(4-bromo-2-methylphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C18H19BrN2O3S MolecularWeight: 423.32406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C

InChI

InChI=1S/C18H19BrN2O3S/c1-12-9-15(19)7-8-16(12)20-18(22)17-10-13-5-3-4-6-14(13)11-21(17)25(2,23)24/h3-9,17H,10-11H2,1-2H3,(H,20,22)