N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[4-(methylsulfamoylmethyl)benzyl]-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C20H20N4O5S3 MolecularWeight: 492.5916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)CS(=O)(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)CS(=O)(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5S3/c1-13-11-30-20(23-13)31-18-8-7-16(9-17(18)24(26)27)19(25)22-10-14-3-5-15(6-4-14)12-32(28,29)21-2/h3-9,11,21H,10,12H2,1-2H3,(H,22,25)