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

Systemtic Name: 2-(5-bromanyl-2-ethoxy-phenyl)sulfonyl-N-(4-methoxy-2-nitro-phenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(5-bromo-2-ethoxy-phenyl)sulfonyl-N-(4-methoxy-2-nitro-phenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(5-bromo-2-ethoxyphenyl)sulfonyl-N-(4-methoxy-2-nitrophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(5-bromo-2-ethoxyphenyl)sulfonyl-N-(4-methoxy-2-nitrophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(5-bromo-2-ethoxy-phenyl)sulfonyl-N-(4-methoxy-2-nitro-phenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H24BrN3O7S MolecularWeight: 590.44296

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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=C(C=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=C(C=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C25H24BrN3O7S/c1-3-36-23-11-8-18(26)13-24(23)37(33,34)28-15-17-7-5-4-6-16(17)12-22(28)25(30)27-20-10-9-19(35-2)14-21(20)29(31)32/h4-11,13-14,22H,3,12,15H2,1-2H3,(H,27,30)