3-[5-methyl-3-[[methylsulfonyl-[4-(2-sulfamoylphenyl)phenyl]amino]methyl]pyrazol-1-yl]benzenecarboximidamide

Systemtic Name: 3-[5-methyl-3-[[methylsulfonyl-[4-(2-sulfamoylphenyl)phenyl]amino]methyl]pyrazol-1-yl]benzenecarboximidamide Openeye Name: 3-[5-methyl-3-[[N-methylsulfonyl-4-(2-sulfamoylphenyl)anilino]methyl]pyrazol-1-yl]benzamidine CAS Name: 3-[5-methyl-3-[[N-methylsulfonyl-4-(2-sulfamoylphenyl)anilino]methyl]-1-pyrazolyl]benzenecarboximidamide IUPAC Name: 3-[5-methyl-3-[[N-methylsulfonyl-4-(2-sulfamoylphenyl)anilino]methyl]pyrazol-1-yl]benzenecarboximidamide Traditional Name: 3-[3-[[N-mesyl-4-(2-sulfamoylphenyl)anilino]methyl]-5-methyl-pyrazol-1-yl]benzamidine Formula: C25H26N6O4S2 MolecularWeight: 538.64174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=CC(=C2)C(=N)N)CN(C3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)N)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=CC(=C2)C(=N)N)CN(C3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)N)S(=O)(=O)C

InChI

InChI=1S/C25H26N6O4S2/c1-17-14-20(29-31(17)22-7-5-6-19(15-22)25(26)27)16-30(36(2,32)33)21-12-10-18(11-13-21)23-8-3-4-9-24(23)37(28,34)35/h3-15H,16H2,1-2H3,(H3,26,27)(H2,28,34,35)