3-carbamimidoyl-2-ethyl-4-[3-methyl-5-[[2-(2-sulfamoylphenyl)phenyl]carbamoyl]pyrazol-1-yl]benzoic acid

Systemtic Name: 3-carbamimidoyl-2-ethyl-4-[3-methyl-5-[[2-(2-sulfamoylphenyl)phenyl]carbamoyl]pyrazol-1-yl]benzoic acid Openeye Name: 3-carbamimidoyl-2-ethyl-4-[3-methyl-5-[[2-(2-sulfamoylphenyl)phenyl]carbamoyl]pyrazol-1-yl]benzoic acid CAS Name: 3-carbamimidoyl-2-ethyl-4-[3-methyl-5-[oxo-[2-(2-sulfamoylphenyl)anilino]methyl]-1-pyrazolyl]benzoic acid IUPAC Name: 3-carbamimidoyl-2-ethyl-4-[3-methyl-5-[[2-(2-sulfamoylphenyl)phenyl]carbamoyl]pyrazol-1-yl]benzoic acid Traditional Name: 3-amidino-2-ethyl-4-[3-methyl-5-[[2-(2-sulfamoylphenyl)phenyl]carbamoyl]pyrazol-1-yl]benzoic acid Formula: C27H26N6O5S MolecularWeight: 546.59754

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1C(=N)N)N2C(=CC(=N2)C)C(=O)NC3=CC=CC=C3C4=CC=CC=C4S(=O)(=O)N)C(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1C(=N)N)N2C(=CC(=N2)C)C(=O)NC3=CC=CC=C3C4=CC=CC=C4S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C27H26N6O5S/c1-3-16-19(27(35)36)12-13-21(24(16)25(28)29)33-22(14-15(2)32-33)26(34)31-20-10-6-4-8-17(20)18-9-5-7-11-23(18)39(30,37)38/h4-14H,3H2,1-2H3,(H3,28,29)(H,31,34)(H,35,36)(H2,30,37,38)