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

Systemtic Name: 4-[2-morpholin-4-ylsulfonylethyl(pyridin-3-ylmethyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-morpholinosulfonylethyl(3-pyridylmethyl)amino]-4-oxo-butanoic acid CAS Name: 4-[2-(4-morpholinylsulfonyl)ethyl-(3-pyridinylmethyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[2-morpholin-4-ylsulfonylethyl(pyridin-3-ylmethyl)amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[2-morpholinosulfonylethyl(3-pyridylmethyl)amino]butyric acid Formula: C16H23N3O6S MolecularWeight: 385.43532

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)CCN(CC2=CN=CC=C2)C(=O)CCC(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)CCN(CC2=CN=CC=C2)C(=O)CCC(=O)O

InChI

InChI=1S/C16H23N3O6S/c20-15(3-4-16(21)22)18(13-14-2-1-5-17-12-14)8-11-26(23,24)19-6-9-25-10-7-19/h1-2,5,12H,3-4,6-11,13H2,(H,21,22)