5-butyl-2-(3-carbamimidoylphenyl)-N-[2-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide

Systemtic Name: 5-butyl-2-(3-carbamimidoylphenyl)-N-[2-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide Openeye Name: 5-butyl-2-(3-carbamimidoylphenyl)-N-[2-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide CAS Name: 5-butyl-2-(3-carbamimidoylphenyl)-N-[2-(2-sulfamoylphenyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 5-butyl-2-(3-carbamimidoylphenyl)-N-[2-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide Traditional Name: 2-(3-amidinophenyl)-5-butyl-N-[2-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide Formula: C27H28N6O3S MolecularWeight: 516.61462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1)C(=O)NC2=CC=CC=C2C3=CC=CC=C3S(=O)(=O)N)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CCCCC1=NN(C(=C1)C(=O)NC2=CC=CC=C2C3=CC=CC=C3S(=O)(=O)N)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C27H28N6O3S/c1-2-3-10-19-17-24(33(32-19)20-11-8-9-18(16-20)26(28)29)27(34)31-23-14-6-4-12-21(23)22-13-5-7-15-25(22)37(30,35)36/h4-9,11-17H,2-3,10H2,1H3,(H3,28,29)(H,31,34)(H2,30,35,36)