methyl 4-[[(4-carbamimidoylphenyl)sulfonyl-(2-ethoxy-2-oxidanylidene-1-phenoxy-ethyl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[(4-carbamimidoylphenyl)sulfonyl-(2-ethoxy-2-oxidanylidene-1-phenoxy-ethyl)amino]methyl]benzoate Openeye Name: methyl 4-[[(4-carbamimidoylphenyl)sulfonyl-(2-ethoxy-2-oxo-1-phenoxy-ethyl)amino]methyl]benzoate CAS Name: 4-[[(4-carbamimidoylphenyl)sulfonyl-(2-ethoxy-2-oxo-1-phenoxyethyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-carbamimidoylphenyl)sulfonyl-(2-ethoxy-2-oxo-1-phenoxyethyl)amino]methyl]benzoate Traditional Name: 4-[[(4-amidinophenyl)sulfonyl-(2-ethoxy-2-keto-1-phenoxy-ethyl)amino]methyl]benzoic acid methyl ester Formula: C26H27N3O7S MolecularWeight: 525.57348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(N(CC1=CC=C(C=C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C(=N)N)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(N(CC1=CC=C(C=C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C(=N)N)OC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O7S/c1-3-35-26(31)24(36-21-7-5-4-6-8-21)29(17-18-9-11-20(12-10-18)25(30)34-2)37(32,33)22-15-13-19(14-16-22)23(27)28/h4-16,24H,3,17H2,1-2H3,(H3,27,28)