4-[2-(azepan-1-ylsulfonyl)ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-(azepan-1-ylsulfonyl)ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(azepan-1-ylsulfonyl)ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxo-butanoic acid CAS Name: 4-[2-(1-azepanylsulfonyl)ethyl-[(1-methyl-4-pyrazolyl)methyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[2-(azepan-1-ylsulfonyl)ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxobutanoic acid Traditional Name: 4-[2-(azepan-1-ylsulfonyl)ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-keto-butyric acid Formula: C17H28N4O5S MolecularWeight: 400.49302

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN(CCS(=O)(=O)N2CCCCCC2)C(=O)CCC(=O)O

Isomeric SMILES

CN1C=C(C=N1)CN(CCS(=O)(=O)N2CCCCCC2)C(=O)CCC(=O)O

InChI

InChI=1S/C17H28N4O5S/c1-19-13-15(12-18-19)14-20(16(22)6-7-17(23)24)10-11-27(25,26)21-8-4-2-3-5-9-21/h12-13H,2-11,14H2,1H3,(H,23,24)