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

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(4-methylphenyl)sulfonylamino]methyl]benzoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-[(p-tolylsulfonylamino)methyl]benzoate CAS Name: 3-(3-carbamimidoylphenyl)-5-[[(4-methylphenyl)sulfonylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(4-methylphenyl)sulfonylamino]methyl]benzoate Traditional Name: 3-(3-amidinophenyl)-5-[(tosylamino)methyl]benzoic acid methyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC(=CC(=C2)C(=O)OC)C3=CC(=CC=C3)C(=N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC(=CC(=C2)C(=O)OC)C3=CC(=CC=C3)C(=N)N

InChI

InChI=1S/C23H23N3O4S/c1-15-6-8-21(9-7-15)31(28,29)26-14-16-10-19(13-20(11-16)23(27)30-2)17-4-3-5-18(12-17)22(24)25/h3-13,26H,14H2,1-2H3,(H3,24,25)