methyl 4-[[2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzoate CAS Name: 4-[[[2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzoate Traditional Name: 4-[[2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzoic acid methyl ester Formula: C26H26N2O7S MolecularWeight: 510.55884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CC=C(C=C4)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CC=C(C=C4)C(=O)OC)OC

InChI

InChI=1S/C26H26N2O7S/c1-33-23-13-12-21(15-24(23)34-2)36(31,32)28-16-19-7-5-4-6-18(19)14-22(28)25(29)27-20-10-8-17(9-11-20)26(30)35-3/h4-13,15,22H,14,16H2,1-3H3,(H,27,29)