[4-[(pyridin-2-ylcarbonylamino)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[(pyridin-2-ylcarbonylamino)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(pyridine-2-carbonylamino)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[oxo-[[oxo(2-pyridinyl)methyl]hydrazo]methyl]phenyl] ester IUPAC Name: [4-[(pyridine-2-carbonylamino)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-(picolinamidocarbamoyl)phenyl] ester Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CC=N3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CC=N3

InChI

InChI=1S/C21H19N3O5S/c1-14-6-7-15(2)19(13-14)30(27,28)29-17-10-8-16(9-11-17)20(25)23-24-21(26)18-5-3-4-12-22-18/h3-13H,1-2H3,(H,23,25)(H,24,26)