methyl 4-chloranyl-3-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-[methyl(tosyl)amino]acetyl]amino]benzoic acid methyl ester Formula: C18H19ClN2O5S MolecularWeight: 410.87186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl

InChI

InChI=1S/C18H19ClN2O5S/c1-12-4-7-14(8-5-12)27(24,25)21(2)11-17(22)20-16-10-13(18(23)26-3)6-9-15(16)19/h4-10H,11H2,1-3H3,(H,20,22)