2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

Systemtic Name: 2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide Openeye Name: 2-(3,5-dimethyl-N-methylsulfonyl-anilino)-N-[4-(thiazol-2-ylsulfamoyl)phenyl]propanamide CAS Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(2-thiazolylsulfamoyl)phenyl]propanamide IUPAC Name: 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide Traditional Name: 2-(N-mesyl-3,5-dimethyl-anilino)-N-[4-(thiazol-2-ylsulfamoyl)phenyl]propionamide Formula: C21H24N4O5S3 MolecularWeight: 508.63406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O5S3/c1-14-11-15(2)13-18(12-14)25(32(4,27)28)16(3)20(26)23-17-5-7-19(8-6-17)33(29,30)24-21-22-9-10-31-21/h5-13,16H,1-4H3,(H,22,24)(H,23,26)