3-[[4-[(ethylsulfonylamino)methyl]phenyl]amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[4-[(ethylsulfonylamino)methyl]phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-[(ethylsulfonylamino)methyl]anilino]-3-oxo-propanoic acid CAS Name: 3-[4-[(ethylsulfonylamino)methyl]anilino]-3-oxopropanoic acid IUPAC Name: 3-[4-[(ethylsulfonylamino)methyl]anilino]-3-oxopropanoic acid Traditional Name: 3-[4-[(esylamino)methyl]anilino]-3-keto-propionic acid Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NCC1=CC=C(C=C1)NC(=O)CC(=O)O

Isomeric SMILES

CCS(=O)(=O)NCC1=CC=C(C=C1)NC(=O)CC(=O)O

InChI

InChI=1S/C12H16N2O5S/c1-2-20(18,19)13-8-9-3-5-10(6-4-9)14-11(15)7-12(16)17/h3-6,13H,2,7-8H2,1H3,(H,14,15)(H,16,17)