(3S)-2-(4-bromanyl-3-methyl-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-(4-bromanyl-3-methyl-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(4-bromo-3-methyl-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-(4-bromo-3-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(4-bromo-3-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(4-bromo-3-methyl-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C17H17BrN2O3S MolecularWeight: 409.29748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)N)Br

InChI

InChI=1S/C17H17BrN2O3S/c1-11-8-14(6-7-15(11)18)24(22,23)20-10-13-5-3-2-4-12(13)9-16(20)17(19)21/h2-8,16H,9-10H2,1H3,(H2,19,21)/t16-/m0/s1