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

Systemtic Name: ethyl 2-[2-[isoquinolin-5-ylsulfonyl-(4-methoxyphenyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[N-(5-isoquinolylsulfonyl)-4-methoxy-anilino]acetyl]amino]benzoate CAS Name: 2-[[2-[N-(5-isoquinolinylsulfonyl)-4-methoxyanilino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(N-isoquinolin-5-ylsulfonyl-4-methoxyanilino)acetyl]amino]benzoate Traditional Name: 2-[[2-[N-(5-isoquinolylsulfonyl)-4-methoxy-anilino]acetyl]amino]benzoic acid ethyl ester Formula: C27H25N3O6S MolecularWeight: 519.5689

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C27H25N3O6S/c1-3-36-27(32)23-8-4-5-9-24(23)29-26(31)18-30(20-11-13-21(35-2)14-12-20)37(33,34)25-10-6-7-19-17-28-16-15-22(19)25/h4-17H,3,18H2,1-2H3,(H,29,31)