[2-(1H-indol-4-ylcarbonylamino)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(1H-indol-4-ylcarbonylamino)phenyl] 4-methylbenzenesulfonate Openeye Name: [2-(1H-indole-4-carbonylamino)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[[1H-indol-4-yl(oxo)methyl]amino]phenyl] ester IUPAC Name: [2-(1H-indole-4-carbonylamino)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(1H-indole-4-carbonylamino)phenyl] ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2NC(=O)C3=C4C=CNC4=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2NC(=O)C3=C4C=CNC4=CC=C3

InChI

InChI=1S/C22H18N2O4S/c1-15-9-11-16(12-10-15)29(26,27)28-21-8-3-2-6-20(21)24-22(25)18-5-4-7-19-17(18)13-14-23-19/h2-14,23H,1H3,(H,24,25)