methyl 3-(3-carbamimidoylphenyl)-5-[[(4-chlorophenyl)sulfonylamino]methyl]benzoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(4-chlorophenyl)sulfonylamino]methyl]benzoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(4-chlorophenyl)sulfonylamino]methyl]benzoate CAS Name: 3-(3-carbamimidoylphenyl)-5-[[(4-chlorophenyl)sulfonylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(4-chlorophenyl)sulfonylamino]methyl]benzoate Traditional Name: 3-(3-amidinophenyl)-5-[[(4-chlorophenyl)sulfonylamino]methyl]benzoic acid methyl ester Formula: C22H20ClN3O4S MolecularWeight: 457.9299

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3O4S/c1-30-22(27)18-10-14(13-26-31(28,29)20-7-5-19(23)6-8-20)9-17(12-18)15-3-2-4-16(11-15)21(24)25/h2-12,26H,13H2,1H3,(H3,24,25)