N-(2,3-dimethylphenyl)-4-[(1H-pyrrol-2-ylcarbonylamino)carbamoyl]benzenesulfonamide

Systemtic Name: N-(2,3-dimethylphenyl)-4-[(1H-pyrrol-2-ylcarbonylamino)carbamoyl]benzenesulfonamide Openeye Name: N-(2,3-dimethylphenyl)-4-[(1H-pyrrole-2-carbonylamino)carbamoyl]benzenesulfonamide CAS Name: N-(2,3-dimethylphenyl)-4-[oxo-[[oxo(1H-pyrrol-2-yl)methyl]hydrazo]methyl]benzenesulfonamide IUPAC Name: N-(2,3-dimethylphenyl)-4-[(1H-pyrrole-2-carbonylamino)carbamoyl]benzenesulfonamide Traditional Name: N-(2,3-dimethylphenyl)-4-[(1H-pyrrole-2-carbonylamino)carbamoyl]benzenesulfonamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CN3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CN3)C

InChI

InChI=1S/C20H20N4O4S/c1-13-5-3-6-17(14(13)2)24-29(27,28)16-10-8-15(9-11-16)19(25)22-23-20(26)18-7-4-12-21-18/h3-12,21,24H,1-2H3,(H,22,25)(H,23,26)