(phenylmethyl) 4-[3-(4-hydroxyphenyl)-2-(isoquinolin-5-ylsulfonylamino)propanoyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[3-(4-hydroxyphenyl)-2-(isoquinolin-5-ylsulfonylamino)propanoyl]piperazine-1-carboxylate Openeye Name: benzyl 4-[3-(4-hydroxyphenyl)-2-(5-isoquinolylsulfonylamino)propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-(4-hydroxyphenyl)-2-(5-isoquinolinylsulfonylamino)-1-oxopropyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-(4-hydroxyphenyl)-2-(isoquinolin-5-ylsulfonylamino)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(4-hydroxyphenyl)-2-(5-isoquinolylsulfonylamino)propanoyl]piperazine-1-carboxylic acid benzyl ester Formula: C30H30N4O6S MolecularWeight: 574.6474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C(CC2=CC=C(C=C2)O)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C(CC2=CC=C(C=C2)O)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C30H30N4O6S/c35-25-11-9-22(10-12-25)19-27(32-41(38,39)28-8-4-7-24-20-31-14-13-26(24)28)29(36)33-15-17-34(18-16-33)30(37)40-21-23-5-2-1-3-6-23/h1-14,20,27,32,35H,15-19,21H2