methyl 4-[2-[isoquinolin-5-ylsulfonyl-(4-methoxyphenyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[isoquinolin-5-ylsulfonyl-(4-methoxyphenyl)amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[N-(5-isoquinolylsulfonyl)-4-methoxy-anilino]acetyl]amino]benzoate CAS Name: 4-[[2-[N-(5-isoquinolinylsulfonyl)-4-methoxyanilino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(N-isoquinolin-5-ylsulfonyl-4-methoxyanilino)acetyl]amino]benzoate Traditional Name: 4-[[2-[N-(5-isoquinolylsulfonyl)-4-methoxy-anilino]acetyl]amino]benzoic acid methyl ester Formula: C26H23N3O6S MolecularWeight: 505.54232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

COC1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C26H23N3O6S/c1-34-22-12-10-21(11-13-22)29(17-25(30)28-20-8-6-18(7-9-20)26(31)35-2)36(32,33)24-5-3-4-19-16-27-15-14-23(19)24/h3-16H,17H2,1-2H3,(H,28,30)