[3-[(phenylmethyl)carbamoyl]phenyl] isoquinoline-5-sulfonate

Systemtic Name: [3-[(phenylmethyl)carbamoyl]phenyl] isoquinoline-5-sulfonate Openeye Name: [3-(benzylcarbamoyl)phenyl] isoquinoline-5-sulfonate CAS Name: 5-isoquinolinesulfonic acid [3-[oxo-[(phenylmethyl)amino]methyl]phenyl] ester IUPAC Name: [3-(benzylcarbamoyl)phenyl] isoquinoline-5-sulfonate Traditional Name: isoquinoline-5-sulfonic acid [3-(benzylcarbamoyl)phenyl] ester Formula: C23H18N2O4S MolecularWeight: 418.46502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C23H18N2O4S/c26-23(25-15-17-6-2-1-3-7-17)18-8-4-10-20(14-18)29-30(27,28)22-11-5-9-19-16-24-13-12-21(19)22/h1-14,16H,15H2,(H,25,26)