3-[3-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-3-oxidanylidene-propyl]sulfanylpropanoic acid

Systemtic Name: 3-[3-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-3-oxidanylidene-propyl]sulfanylpropanoic acid Openeye Name: 3-[3-[4-methoxy-3-(1-piperidylsulfonyl)anilino]-3-oxo-propyl]sulfanylpropanoic acid CAS Name: 3-[[3-[4-methoxy-3-(1-piperidinylsulfonyl)anilino]-3-oxopropyl]thio]propanoic acid IUPAC Name: 3-[3-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-3-oxopropyl]sulfanylpropanoic acid Traditional Name: 3-[[3-keto-3-(4-methoxy-3-piperidinosulfonyl-anilino)propyl]thio]propionic acid Formula: C18H26N2O6S2 MolecularWeight: 430.53884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCSCCC(=O)O)S(=O)(=O)N2CCCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCSCCC(=O)O)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C18H26N2O6S2/c1-26-15-6-5-14(19-17(21)7-11-27-12-8-18(22)23)13-16(15)28(24,25)20-9-3-2-4-10-20/h5-6,13H,2-4,7-12H2,1H3,(H,19,21)(H,22,23)