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

Systemtic Name: (phenylmethyl) 4-[3-(4-hydroxyphenyl)-2-(isoquinolin-5-ylsulfonylamino)propyl]-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-[3-(4-hydroxyphenyl)-2-(5-isoquinolylsulfonylamino)propyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[3-(4-hydroxyphenyl)-2-(5-isoquinolinylsulfonylamino)propyl]-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-(4-hydroxyphenyl)-2-(isoquinolin-5-ylsulfonylamino)propyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[3-(4-hydroxyphenyl)-2-(5-isoquinolylsulfonylamino)propyl]-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C31H34N4O5S MolecularWeight: 574.69046

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)CC(CC3=CC=C(C=C3)O)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)CC(CC3=CC=C(C=C3)O)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C31H34N4O5S/c36-28-12-10-24(11-13-28)20-27(33-41(38,39)30-9-4-8-26-21-32-15-14-29(26)30)22-34-16-5-17-35(19-18-34)31(37)40-23-25-6-2-1-3-7-25/h1-4,6-15,21,27,33,36H,5,16-20,22-23H2