2-[[2-(carboxymethylsulfanyl)-5-morpholin-4-ylsulfonyl-phenyl]amino]ethanoic acid

Systemtic Name: 2-[[2-(carboxymethylsulfanyl)-5-morpholin-4-ylsulfonyl-phenyl]amino]ethanoic acid Openeye Name: 2-[2-(carboxymethylsulfanyl)-5-morpholinosulfonyl-anilino]acetic acid CAS Name: 2-[2-(carboxymethylthio)-5-(4-morpholinylsulfonyl)anilino]acetic acid IUPAC Name: 2-[2-(carboxymethylsulfanyl)-5-morpholin-4-ylsulfonylanilino]acetic acid Traditional Name: 2-[2-(carboxymethylthio)-5-morpholinosulfonyl-anilino]acetic acid Formula: C14H18N2O7S2 MolecularWeight: 390.43192

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)SCC(=O)O)NCC(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)SCC(=O)O)NCC(=O)O

InChI

InChI=1S/C14H18N2O7S2/c17-13(18)8-15-11-7-10(1-2-12(11)24-9-14(19)20)25(21,22)16-3-5-23-6-4-16/h1-2,7,15H,3-6,8-9H2,(H,17,18)(H,19,20)