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

Systemtic Name: methyl 2-[2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetyl]amino]benzoate CAS Name: 2-[[2-[(4-cyanophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-cyanophenyl)sulfonyl-methylamino]acetyl]amino]benzoate Traditional Name: 2-[[2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetyl]amino]benzoic acid methyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H17N3O5S/c1-21(27(24,25)14-9-7-13(11-19)8-10-14)12-17(22)20-16-6-4-3-5-15(16)18(23)26-2/h3-10H,12H2,1-2H3,(H,20,22)