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

Systemtic Name: 5-butyl-2-(3-carbamimidoylphenyl)-N-[5-(2-sulfamoylphenyl)pyridin-2-yl]pyrazole-3-carboxamide Openeye Name: 5-butyl-2-(3-carbamimidoylphenyl)-N-[5-(2-sulfamoylphenyl)-2-pyridyl]pyrazole-3-carboxamide CAS Name: 5-butyl-2-(3-carbamimidoylphenyl)-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-3-pyrazolecarboxamide IUPAC Name: 5-butyl-2-(3-carbamimidoylphenyl)-N-[5-(2-sulfamoylphenyl)pyridin-2-yl]pyrazole-3-carboxamide Traditional Name: 2-(3-amidinophenyl)-5-butyl-N-[5-(2-sulfamoylphenyl)-2-pyridyl]pyrazole-3-carboxamide Formula: C26H27N7O3S MolecularWeight: 517.60268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1)C(=O)NC2=NC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CCCCC1=NN(C(=C1)C(=O)NC2=NC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C26H27N7O3S/c1-2-3-8-19-15-22(33(32-19)20-9-6-7-17(14-20)25(27)28)26(34)31-24-13-12-18(16-30-24)21-10-4-5-11-23(21)37(29,35)36/h4-7,9-16H,2-3,8H2,1H3,(H3,27,28)(H2,29,35,36)(H,30,31,34)