4-oxidanylidene-4-[2-piperidin-1-ylsulfonylethyl(pyridin-2-ylmethyl)amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[2-piperidin-1-ylsulfonylethyl(pyridin-2-ylmethyl)amino]butanoic acid Openeye Name: 4-oxo-4-[2-(1-piperidylsulfonyl)ethyl-(2-pyridylmethyl)amino]butanoic acid CAS Name: 4-oxo-4-[2-(1-piperidinylsulfonyl)ethyl-(2-pyridinylmethyl)amino]butanoic acid IUPAC Name: 4-oxo-4-[2-piperidin-1-ylsulfonylethyl(pyridin-2-ylmethyl)amino]butanoic acid Traditional Name: 4-keto-4-[2-piperidinosulfonylethyl(2-pyridylmethyl)amino]butyric acid Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)CCN(CC2=CC=CC=N2)C(=O)CCC(=O)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)CCN(CC2=CC=CC=N2)C(=O)CCC(=O)O

InChI

InChI=1S/C17H25N3O5S/c21-16(7-8-17(22)23)19(14-15-6-2-3-9-18-15)12-13-26(24,25)20-10-4-1-5-11-20/h2-3,6,9H,1,4-5,7-8,10-14H2,(H,22,23)