2-[2-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[4-[(4-methyl-1-piperidyl)sulfonyl]anilino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-keto-2-[4-(4-methylpiperidino)sulfonylanilino]ethyl]thio]acetic acid Formula: C16H22N2O5S2 MolecularWeight: 386.48628

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSCC(=O)O

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSCC(=O)O

InChI

InChI=1S/C16H22N2O5S2/c1-12-6-8-18(9-7-12)25(22,23)14-4-2-13(3-5-14)17-15(19)10-24-11-16(20)21/h2-5,12H,6-11H2,1H3,(H,17,19)(H,20,21)