methyl 4-[2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetyl]amino]benzoic acid methyl ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H21N3O6S/c1-13(23)20-15-8-10-17(11-9-15)29(26,27)22(2)12-18(24)21-16-6-4-14(5-7-16)19(25)28-3/h4-11H,12H2,1-3H3,(H,20,23)(H,21,24)