2-[[2-(carboxymethylsulfanyl)-5-(4-methylpiperidin-1-yl)sulfonyl-phenyl]amino]ethanoic acid

Systemtic Name: 2-[[2-(carboxymethylsulfanyl)-5-(4-methylpiperidin-1-yl)sulfonyl-phenyl]amino]ethanoic acid Openeye Name: 2-[2-(carboxymethylsulfanyl)-5-[(4-methyl-1-piperidyl)sulfonyl]anilino]acetic acid CAS Name: 2-[2-(carboxymethylthio)-5-[(4-methyl-1-piperidinyl)sulfonyl]anilino]acetic acid IUPAC Name: 2-[2-(carboxymethylsulfanyl)-5-(4-methylpiperidin-1-yl)sulfonylanilino]acetic acid Traditional Name: 2-[2-(carboxymethylthio)-5-(4-methylpiperidino)sulfonyl-anilino]acetic acid Formula: C16H22N2O6S2 MolecularWeight: 402.48568

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SCC(=O)O)NCC(=O)O

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SCC(=O)O)NCC(=O)O

InChI

InChI=1S/C16H22N2O6S2/c1-11-4-6-18(7-5-11)26(23,24)12-2-3-14(25-10-16(21)22)13(8-12)17-9-15(19)20/h2-3,8,11,17H,4-7,9-10H2,1H3,(H,19,20)(H,21,22)