3-(3-carbamimidoylphenyl)-4-pyrazol-1-yl-N-[4-(2-sulfamoylphenyl)phenyl]butanamide

Systemtic Name: 3-(3-carbamimidoylphenyl)-4-pyrazol-1-yl-N-[4-(2-sulfamoylphenyl)phenyl]butanamide Openeye Name: 3-(3-carbamimidoylphenyl)-4-pyrazol-1-yl-N-[4-(2-sulfamoylphenyl)phenyl]butanamide CAS Name: 3-(3-carbamimidoylphenyl)-4-(1-pyrazolyl)-N-[4-(2-sulfamoylphenyl)phenyl]butanamide IUPAC Name: 3-(3-carbamimidoylphenyl)-4-pyrazol-1-yl-N-[4-(2-sulfamoylphenyl)phenyl]butanamide Traditional Name: 3-(3-amidinophenyl)-4-pyrazol-1-yl-N-[4-(2-sulfamoylphenyl)phenyl]butyramide Formula: C26H26N6O3S MolecularWeight: 502.58804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)NC(=O)CC(CN3C=CC=N3)C4=CC=CC(=C4)C(=N)N)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)NC(=O)CC(CN3C=CC=N3)C4=CC=CC(=C4)C(=N)N)S(=O)(=O)N

InChI

InChI=1S/C26H26N6O3S/c27-26(28)20-6-3-5-19(15-20)21(17-32-14-4-13-30-32)16-25(33)31-22-11-9-18(10-12-22)23-7-1-2-8-24(23)36(29,34)35/h1-15,21H,16-17H2,(H3,27,28)(H,31,33)(H2,29,34,35)