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

Systemtic Name: (3S)-2-(5-bromanyl-2-ethoxy-phenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(5-bromo-2-ethoxy-phenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-(5-bromo-2-ethoxyphenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(5-bromo-2-ethoxyphenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(5-bromo-2-ethoxy-phenyl)sulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H21BrN2O4S MolecularWeight: 453.35004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)NC

InChI

InChI=1S/C19H21BrN2O4S/c1-3-26-17-9-8-15(20)11-18(17)27(24,25)22-12-14-7-5-4-6-13(14)10-16(22)19(23)21-2/h4-9,11,16H,3,10,12H2,1-2H3,(H,21,23)/t16-/m0/s1