4-[(1-methylpyrazol-4-yl)methyl-(2-piperidin-1-ylsulfonylethyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(1-methylpyrazol-4-yl)methyl-(2-piperidin-1-ylsulfonylethyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(1-methylpyrazol-4-yl)methyl-[2-(1-piperidylsulfonyl)ethyl]amino]-4-oxo-butanoic acid CAS Name: 4-[(1-methyl-4-pyrazolyl)methyl-[2-(1-piperidinylsulfonyl)ethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[(1-methylpyrazol-4-yl)methyl-(2-piperidin-1-ylsulfonylethyl)amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[(1-methylpyrazol-4-yl)methyl-(2-piperidinosulfonylethyl)amino]butyric acid Formula: C16H26N4O5S MolecularWeight: 386.46644

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN(CCS(=O)(=O)N2CCCCC2)C(=O)CCC(=O)O

Isomeric SMILES

CN1C=C(C=N1)CN(CCS(=O)(=O)N2CCCCC2)C(=O)CCC(=O)O

InChI

InChI=1S/C16H26N4O5S/c1-18-12-14(11-17-18)13-19(15(21)5-6-16(22)23)9-10-26(24,25)20-7-3-2-4-8-20/h11-12H,2-10,13H2,1H3,(H,22,23)