4-oxidanylidene-4-[2-piperidin-1-ylsulfonylethyl(pyridin-3-ylmethyl)amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[2-piperidin-1-ylsulfonylethyl(pyridin-3-ylmethyl)amino]butanoic acid Openeye Name: 4-oxo-4-[2-(1-piperidylsulfonyl)ethyl-(3-pyridylmethyl)amino]butanoic acid CAS Name: 4-oxo-4-[2-(1-piperidinylsulfonyl)ethyl-(3-pyridinylmethyl)amino]butanoic acid IUPAC Name: 4-oxo-4-[2-piperidin-1-ylsulfonylethyl(pyridin-3-ylmethyl)amino]butanoic acid Traditional Name: 4-keto-4-[2-piperidinosulfonylethyl(3-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=CN=CC=C2)C(=O)CCC(=O)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)CCN(CC2=CN=CC=C2)C(=O)CCC(=O)O

InChI

InChI=1S/C17H25N3O5S/c21-16(6-7-17(22)23)19(14-15-5-4-8-18-13-15)11-12-26(24,25)20-9-2-1-3-10-20/h4-5,8,13H,1-3,6-7,9-12,14H2,(H,22,23)