N-[2-(3-carbamimidoylphenoxy)ethyl]-N-(pyridin-3-ylmethyl)-4-(2-sulfamoylphenyl)benzamide

Systemtic Name: N-[2-(3-carbamimidoylphenoxy)ethyl]-N-(pyridin-3-ylmethyl)-4-(2-sulfamoylphenyl)benzamide Openeye Name: N-[2-(3-carbamimidoylphenoxy)ethyl]-N-(3-pyridylmethyl)-4-(2-sulfamoylphenyl)benzamide CAS Name: N-[2-(3-carbamimidoylphenoxy)ethyl]-N-(3-pyridinylmethyl)-4-(2-sulfamoylphenyl)benzamide IUPAC Name: N-[2-(3-carbamimidoylphenoxy)ethyl]-N-(pyridin-3-ylmethyl)-4-(2-sulfamoylphenyl)benzamide Traditional Name: N-[2-(3-amidinophenoxy)ethyl]-N-(3-pyridylmethyl)-4-(2-sulfamoylphenyl)benzamide Formula: C28H27N5O4S MolecularWeight: 529.61008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)N(CCOC3=CC=CC(=C3)C(=N)N)CC4=CN=CC=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)N(CCOC3=CC=CC(=C3)C(=N)N)CC4=CN=CC=C4)S(=O)(=O)N

InChI

InChI=1S/C28H27N5O4S/c29-27(30)23-6-3-7-24(17-23)37-16-15-33(19-20-5-4-14-32-18-20)28(34)22-12-10-21(11-13-22)25-8-1-2-9-26(25)38(31,35)36/h1-14,17-18H,15-16,19H2,(H3,29,30)(H2,31,35,36)