ethyl 4-[2-[isoquinolin-5-ylsulfonyl-(4-methoxyphenyl)amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[isoquinolin-5-ylsulfonyl-(4-methoxyphenyl)amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[N-(5-isoquinolylsulfonyl)-4-methoxy-anilino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[N-(5-isoquinolinylsulfonyl)-4-methoxyanilino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(N-isoquinolin-5-ylsulfonyl-4-methoxyanilino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[N-(5-isoquinolylsulfonyl)-4-methoxy-anilino]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H28N4O6S MolecularWeight: 512.57802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C25H28N4O6S/c1-3-35-25(31)28-15-13-27(14-16-28)24(30)18-29(20-7-9-21(34-2)10-8-20)36(32,33)23-6-4-5-19-17-26-12-11-22(19)23/h4-12,17H,3,13-16,18H2,1-2H3