N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-(phenylsulfonyl)thiophene-2-sulfonamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-(phenylsulfonyl)thiophene-2-sulfonamide Openeye Name: 5-(benzenesulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiophene-2-sulfonamide CAS Name: 5-(benzenesulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-thiophenesulfonamide IUPAC Name: 5-(benzenesulfonyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-sulfonamide Traditional Name: 5-besyl-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiophene-2-sulfonamide Formula: C21H19N3O5S3 MolecularWeight: 489.58766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(S3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(S3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3O5S3/c1-15-20(21(25)24(23(15)2)16-9-5-3-6-10-16)22-32(28,29)19-14-13-18(30-19)31(26,27)17-11-7-4-8-12-17/h3-14,22H,1-2H3