2-[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[2-methyl-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[2-methyl-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-keto-2-(2-methyl-5-piperidinosulfonyl-anilino)ethyl]thio]acetic acid Formula: C16H22N2O5S2 MolecularWeight: 386.48628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CSCC(=O)O

InChI

InChI=1S/C16H22N2O5S2/c1-12-5-6-13(25(22,23)18-7-3-2-4-8-18)9-14(12)17-15(19)10-24-11-16(20)21/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,17,19)(H,20,21)