4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide

Systemtic Name: 4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide Openeye Name: 4-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-[4-(thiazol-2-ylsulfamoyl)phenyl]butanamide CAS Name: 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[4-(2-thiazolylsulfamoyl)phenyl]butanamide IUPAC Name: 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide Traditional Name: 4-(N-mesyl-3,4-dimethyl-anilino)-N-[4-(thiazol-2-ylsulfamoyl)phenyl]butyramide Formula: C22H26N4O5S3 MolecularWeight: 522.66064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)S(=O)(=O)C)C

InChI

InChI=1S/C22H26N4O5S3/c1-16-6-9-19(15-17(16)2)26(33(3,28)29)13-4-5-21(27)24-18-7-10-20(11-8-18)34(30,31)25-22-23-12-14-32-22/h6-12,14-15H,4-5,13H2,1-3H3,(H,23,25)(H,24,27)