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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)CN(C2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)S(=O)(=O)C)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CC1=NN(C(=C1)CN(C2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)S(=O)(=O)C)C4=CC=CC(=C4)C(=N)N

InChI

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