N-(3-carbamimidoylphenyl)-2-[4-(2-methylsulfonylphenyl)phenoxy]ethanamide

Systemtic Name: N-(3-carbamimidoylphenyl)-2-[4-(2-methylsulfonylphenyl)phenoxy]ethanamide Openeye Name: N-(3-carbamimidoylphenyl)-2-[4-(2-methylsulfonylphenyl)phenoxy]acetamide CAS Name: N-(3-carbamimidoylphenyl)-2-[4-(2-methylsulfonylphenyl)phenoxy]acetamide IUPAC Name: N-(3-carbamimidoylphenyl)-2-[4-(2-methylsulfonylphenyl)phenoxy]acetamide Traditional Name: N-(3-amidinophenyl)-2-[4-(2-mesylphenyl)phenoxy]acetamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)OCC(=O)NC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)OCC(=O)NC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C22H21N3O4S/c1-30(27,28)20-8-3-2-7-19(20)15-9-11-18(12-10-15)29-14-21(26)25-17-6-4-5-16(13-17)22(23)24/h2-13H,14H2,1H3,(H3,23,24)(H,25,26)