(3S)-2-(2-bromanyl-4,5-dimethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-(2-bromanyl-4,5-dimethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(2-bromo-4,5-dimethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(2-bromo-4,5-dimethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C18H19BrN2O5S MolecularWeight: 455.32286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)N

Isomeric SMILES

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)N

InChI

InChI=1S/C18H19BrN2O5S/c1-25-15-8-13(19)17(9-16(15)26-2)27(23,24)21-10-12-6-4-3-5-11(12)7-14(21)18(20)22/h3-6,8-9,14H,7,10H2,1-2H3,(H2,20,22)/t14-/m0/s1