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

Systemtic Name: [4-[(3-methylphenyl)carbonylamino]phenyl] 3,4-dihydro-1H-isoquinoline-2-sulfonate Openeye Name: [4-[(3-methylbenzoyl)amino]phenyl] 3,4-dihydro-1H-isoquinoline-2-sulfonate CAS Name: 3,4-dihydro-1H-isoquinoline-2-sulfonic acid [4-[[(3-methylphenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(3-methylbenzoyl)amino]phenyl] 3,4-dihydro-1H-isoquinoline-2-sulfonate Traditional Name: 3,4-dihydro-1H-isoquinoline-2-sulfonic acid [4-(m-toluoylamino)phenyl] ester Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)OS(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)OS(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H22N2O4S/c1-17-5-4-8-19(15-17)23(26)24-21-9-11-22(12-10-21)29-30(27,28)25-14-13-18-6-2-3-7-20(18)16-25/h2-12,15H,13-14,16H2,1H3,(H,24,26)