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

Systemtic Name: methyl 4-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]butanoate CAS Name: 4-[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]butanoate Traditional Name: 4-[[2-[methyl(tosyl)amino]acetyl]amino]butyric acid methyl ester Formula: C15H22N2O5S MolecularWeight: 342.41058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCCCC(=O)OC

InChI

InChI=1S/C15H22N2O5S/c1-12-6-8-13(9-7-12)23(20,21)17(2)11-14(18)16-10-4-5-15(19)22-3/h6-9H,4-5,10-11H2,1-3H3,(H,16,18)