(phenylmethyl) 3-methyl-4-(4-methylisoquinolin-5-yl)sulfonyl-piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-methyl-4-(4-methylisoquinolin-5-yl)sulfonyl-piperazine-1-carboxylate Openeye Name: benzyl 3-methyl-4-[(4-methyl-5-isoquinolyl)sulfonyl]piperazine-1-carboxylate CAS Name: 3-methyl-4-[(4-methyl-5-isoquinolinyl)sulfonyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-methyl-4-(4-methylisoquinolin-5-yl)sulfonylpiperazine-1-carboxylate Traditional Name: 3-methyl-4-[(4-methyl-5-isoquinolyl)sulfonyl]piperazine-1-carboxylic acid benzyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=CC3=CN=CC(=C32)C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=CC3=CN=CC(=C32)C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O4S/c1-17-13-24-14-20-9-6-10-21(22(17)20)31(28,29)26-12-11-25(15-18(26)2)23(27)30-16-19-7-4-3-5-8-19/h3-10,13-14,18H,11-12,15-16H2,1-2H3