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

Systemtic Name: [4-[(2-methoxyphenyl)carbonylamino]phenyl] 3,4-dihydro-1H-isoquinoline-2-sulfonate Openeye Name: [4-[(2-methoxybenzoyl)amino]phenyl] 3,4-dihydro-1H-isoquinoline-2-sulfonate CAS Name: 3,4-dihydro-1H-isoquinoline-2-sulfonic acid [4-[[(2-methoxyphenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(2-methoxybenzoyl)amino]phenyl] 3,4-dihydro-1H-isoquinoline-2-sulfonate Traditional Name: 3,4-dihydro-1H-isoquinoline-2-sulfonic acid [4-(o-anisoylamino)phenyl] ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)OS(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)OS(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H22N2O5S/c1-29-22-9-5-4-8-21(22)23(26)24-19-10-12-20(13-11-19)30-31(27,28)25-15-14-17-6-2-3-7-18(17)16-25/h2-13H,14-16H2,1H3,(H,24,26)