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

Systemtic Name: ethyl 4-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[5-isoquinolylsulfonyl(methyl)amino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[5-isoquinolinylsulfonyl(methyl)amino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[5-isoquinolylsulfonyl(methyl)amino]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H24N4O5S MolecularWeight: 420.48266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN(C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN(C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C19H24N4O5S/c1-3-28-19(25)23-11-9-22(10-12-23)18(24)14-21(2)29(26,27)17-6-4-5-15-13-20-8-7-16(15)17/h4-8,13H,3,9-12,14H2,1-2H3