2-(1,3-benzodioxol-5-yl)-2-(3-carbamimidoylphenoxy)-N-[4-(2-methylsulfonylphenyl)phenyl]ethanamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-(3-carbamimidoylphenoxy)-N-[4-(2-methylsulfonylphenyl)phenyl]ethanamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-(3-carbamimidoylphenoxy)-N-[4-(2-methylsulfonylphenyl)phenyl]acetamide CAS Name: 2-(1,3-benzodioxol-5-yl)-2-(3-carbamimidoylphenoxy)-N-[4-(2-methylsulfonylphenyl)phenyl]acetamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-(3-carbamimidoylphenoxy)-N-[4-(2-methylsulfonylphenyl)phenyl]acetamide Traditional Name: 2-(3-amidinophenoxy)-2-(1,3-benzodioxol-5-yl)-N-[4-(2-mesylphenyl)phenyl]acetamide Formula: C29H25N3O6S MolecularWeight: 543.5903

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)NC(=O)C(C3=CC4=C(C=C3)OCO4)OC5=CC=CC(=C5)C(=N)N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)NC(=O)C(C3=CC4=C(C=C3)OCO4)OC5=CC=CC(=C5)C(=N)N

InChI

InChI=1S/C29H25N3O6S/c1-39(34,35)26-8-3-2-7-23(26)18-9-12-21(13-10-18)32-29(33)27(19-11-14-24-25(16-19)37-17-36-24)38-22-6-4-5-20(15-22)28(30)31/h2-16,27H,17H2,1H3,(H3,30,31)(H,32,33)