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

Systemtic Name: 2-(5-bromanyl-2-ethoxy-phenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(5-bromo-2-ethoxy-phenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(5-bromo-2-ethoxyphenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(5-bromo-2-ethoxyphenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(5-bromo-2-ethoxy-phenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C26H24BrN3O4S2 MolecularWeight: 586.52046

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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)NC4=NC5=C(S4)C=C(C=C5)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=NC5=C(S4)C=C(C=C5)C

InChI

InChI=1S/C26H24BrN3O4S2/c1-3-34-22-11-9-19(27)14-24(22)36(32,33)30-15-18-7-5-4-6-17(18)13-21(30)25(31)29-26-28-20-10-8-16(2)12-23(20)35-26/h4-12,14,21H,3,13,15H2,1-2H3,(H,28,29,31)