[4-[(2-chlorophenyl)carbonylamino]phenyl] 3,4-dihydro-1H-isoquinoline-2-sulfonate

Systemtic Name: [4-[(2-chlorophenyl)carbonylamino]phenyl] 3,4-dihydro-1H-isoquinoline-2-sulfonate Openeye Name: [4-[(2-chlorobenzoyl)amino]phenyl] 3,4-dihydro-1H-isoquinoline-2-sulfonate CAS Name: 3,4-dihydro-1H-isoquinoline-2-sulfonic acid [4-[[(2-chlorophenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(2-chlorobenzoyl)amino]phenyl] 3,4-dihydro-1H-isoquinoline-2-sulfonate Traditional Name: 3,4-dihydro-1H-isoquinoline-2-sulfonic acid [4-[(2-chlorobenzoyl)amino]phenyl] ester Formula: C22H19ClN2O4S MolecularWeight: 442.91526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H19ClN2O4S/c23-21-8-4-3-7-20(21)22(26)24-18-9-11-19(12-10-18)29-30(27,28)25-14-13-16-5-1-2-6-17(16)15-25/h1-12H,13-15H2,(H,24,26)