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

Systemtic Name: ethyl 4-[2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[5-isoquinolylsulfonyl(2-methoxyethyl)amino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[5-isoquinolinylsulfonyl(2-methoxyethyl)amino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[5-isoquinolylsulfonyl(2-methoxyethyl)amino]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H28N4O6S MolecularWeight: 464.53522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O6S/c1-3-31-21(27)24-11-9-23(10-12-24)20(26)16-25(13-14-30-2)32(28,29)19-6-4-5-17-15-22-8-7-18(17)19/h4-8,15H,3,9-14,16H2,1-2H3