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

Systemtic Name: ethyl 4-[2-[(4-fluorophenyl)-isoquinolin-5-ylsulfonyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[4-fluoro-N-(5-isoquinolinylsulfonyl)anilino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-fluoro-N-isoquinolin-5-ylsulfonylanilino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[4-fluoro-N-(5-isoquinolylsulfonyl)anilino]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H25FN4O5S MolecularWeight: 500.542503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25FN4O5S/c1-2-34-24(31)28-14-12-27(13-15-28)23(30)17-29(20-8-6-19(25)7-9-20)35(32,33)22-5-3-4-18-16-26-11-10-21(18)22/h3-11,16H,2,12-15,17H2,1H3