methyl 3-(3-carbamimidoylphenyl)-5-(phenylsulfonylaminomethyl)benzoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-(phenylsulfonylaminomethyl)benzoate Openeye Name: methyl 3-(benzenesulfonamidomethyl)-5-(3-carbamimidoylphenyl)benzoate CAS Name: 3-(benzenesulfonamidomethyl)-5-(3-carbamimidoylphenyl)benzoic acid methyl ester IUPAC Name: methyl 3-(benzenesulfonamidomethyl)-5-(3-carbamimidoylphenyl)benzoate Traditional Name: 3-(3-amidinophenyl)-5-(benzenesulfonamidomethyl)benzoic acid methyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)CNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)CNS(=O)(=O)C3=CC=CC=C3

InChI

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