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

Systemtic Name: ethyl 4-[2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[5-isoquinolylsulfonyl(propyl)amino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[5-isoquinolinylsulfonyl(propyl)amino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[isoquinolin-5-ylsulfonyl(propyl)amino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[5-isoquinolylsulfonyl(propyl)amino]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O5S/c1-3-10-25(16-20(26)23-11-13-24(14-12-23)21(27)30-4-2)31(28,29)19-7-5-6-17-15-22-9-8-18(17)19/h5-9,15H,3-4,10-14,16H2,1-2H3