4-[[carboxymethyl-(4-methylphenyl)sulfonyl-amino]methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[carboxymethyl-(4-methylphenyl)sulfonyl-amino]methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[carboxymethyl(p-tolylsulfonyl)amino]methylamino]-4-oxo-butanoic acid CAS Name: 4-[[carboxymethyl-(4-methylphenyl)sulfonylamino]methylamino]-4-oxobutanoic acid IUPAC Name: 4-[[carboxymethyl-(4-methylphenyl)sulfonylamino]methylamino]-4-oxobutanoic acid Traditional Name: 4-[[carboxymethyl(tosyl)amino]methylamino]-4-keto-butyric acid Formula: C14H18N2O7S MolecularWeight: 358.36692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)CNC(=O)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)CNC(=O)CCC(=O)O

InChI

InChI=1S/C14H18N2O7S/c1-10-2-4-11(5-3-10)24(22,23)16(8-14(20)21)9-15-12(17)6-7-13(18)19/h2-5H,6-9H2,1H3,(H,15,17)(H,18,19)(H,20,21)