N-(2,4-dimethylphenyl)-3-[(2-thiophen-3-ylethanoylamino)carbamoyl]benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-3-[(2-thiophen-3-ylethanoylamino)carbamoyl]benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-3-[[[2-(3-thienyl)acetyl]amino]carbamoyl]benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-3-[oxo-[[1-oxo-2-(3-thiophenyl)ethyl]hydrazo]methyl]benzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-3-[[(2-thiophen-3-ylacetyl)amino]carbamoyl]benzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-3-[[[2-(3-thienyl)acetyl]amino]carbamoyl]benzenesulfonamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)CC3=CSC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)CC3=CSC=C3)C

InChI

InChI=1S/C21H21N3O4S2/c1-14-6-7-19(15(2)10-14)24-30(27,28)18-5-3-4-17(12-18)21(26)23-22-20(25)11-16-8-9-29-13-16/h3-10,12-13,24H,11H2,1-2H3,(H,22,25)(H,23,26)