4-[methyl-(4-methylphenyl)sulfonyl-amino]-3-oxidanylidene-2-[2-(prop-2-enoxycarbonylamino)ethyl]butanoic acid

Systemtic Name: 4-[methyl-(4-methylphenyl)sulfonyl-amino]-3-oxidanylidene-2-[2-(prop-2-enoxycarbonylamino)ethyl]butanoic acid Openeye Name: 2-[2-(allyloxycarbonylamino)ethyl]-4-[methyl(p-tolylsulfonyl)amino]-3-oxo-butanoic acid CAS Name: 4-[methyl-(4-methylphenyl)sulfonylamino]-3-oxo-2-[2-[[oxo(prop-2-enoxy)methyl]amino]ethyl]butanoic acid IUPAC Name: 4-[methyl-(4-methylphenyl)sulfonylamino]-3-oxo-2-[2-(prop-2-enoxycarbonylamino)ethyl]butanoic acid Traditional Name: 2-[2-(allyloxycarbonylamino)ethyl]-3-keto-4-[methyl(tosyl)amino]butyric acid Formula: C18H24N2O7S MolecularWeight: 412.45736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)C(CCNC(=O)OCC=C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)C(CCNC(=O)OCC=C)C(=O)O

InChI

InChI=1S/C18H24N2O7S/c1-4-11-27-18(24)19-10-9-15(17(22)23)16(21)12-20(3)28(25,26)14-7-5-13(2)6-8-14/h4-8,15H,1,9-12H2,2-3H3,(H,19,24)(H,22,23)