methyl 4-[2-[(3-chloranyl-4-methyl-phenyl)-methylsulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(3-chloranyl-4-methyl-phenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(3-chloro-4-methyl-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 4-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-chloro-N-mesyl-4-methyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C18H19ClN2O5S MolecularWeight: 410.87186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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