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

Systemtic Name: (phenylmethyl) 4-[3-(4-hydroxyphenyl)-2-(isoquinolin-5-ylsulfonylamino)propyl]piperazine-1-carboxylate Openeye Name: benzyl 4-[3-(4-hydroxyphenyl)-2-(5-isoquinolylsulfonylamino)propyl]piperazine-1-carboxylate CAS Name: 4-[3-(4-hydroxyphenyl)-2-(5-isoquinolinylsulfonylamino)propyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-(4-hydroxyphenyl)-2-(isoquinolin-5-ylsulfonylamino)propyl]piperazine-1-carboxylate Traditional Name: 4-[3-(4-hydroxyphenyl)-2-(5-isoquinolylsulfonylamino)propyl]piperazine-1-carboxylic acid benzyl ester Formula: C30H32N4O5S MolecularWeight: 560.66388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CC2=CC=C(C=C2)O)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC(CC2=CC=C(C=C2)O)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C30H32N4O5S/c35-27-11-9-23(10-12-27)19-26(32-40(37,38)29-8-4-7-25-20-31-14-13-28(25)29)21-33-15-17-34(18-16-33)30(36)39-22-24-5-2-1-3-6-24/h1-14,20,26,32,35H,15-19,21-22H2