methyl 4-[2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoylamino]butanoate

Systemtic Name: methyl 4-[2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-(2-methyl-N-methylsulfonyl-anilino)acetyl]amino]butanoate CAS Name: 4-[[2-(2-methyl-N-methylsulfonylanilino)-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]butanoate Traditional Name: 4-[[2-(N-mesyl-2-methyl-anilino)acetyl]amino]butyric acid methyl ester Formula: C15H22N2O5S MolecularWeight: 342.41058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)NCCCC(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)NCCCC(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C15H22N2O5S/c1-12-7-4-5-8-13(12)17(23(3,20)21)11-14(18)16-10-6-9-15(19)22-2/h4-5,7-8H,6,9-11H2,1-3H3,(H,16,18)