(E)-4-[(1-methylpyrazol-4-yl)methyl-(2-pyrrolidin-1-ylsulfonylethyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(1-methylpyrazol-4-yl)methyl-(2-pyrrolidin-1-ylsulfonylethyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(1-methylpyrazol-4-yl)methyl-(2-pyrrolidin-1-ylsulfonylethyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(1-methyl-4-pyrazolyl)methyl-[2-(1-pyrrolidinylsulfonyl)ethyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(1-methylpyrazol-4-yl)methyl-(2-pyrrolidin-1-ylsulfonylethyl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[(1-methylpyrazol-4-yl)methyl-(2-pyrrolidinosulfonylethyl)amino]but-2-enoic acid Formula: C15H22N4O5S MolecularWeight: 370.42398

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN(CCS(=O)(=O)N2CCCC2)C(=O)C=CC(=O)O

Isomeric SMILES

CN1C=C(C=N1)CN(CCS(=O)(=O)N2CCCC2)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C15H22N4O5S/c1-17-11-13(10-16-17)12-18(14(20)4-5-15(21)22)8-9-25(23,24)19-6-2-3-7-19/h4-5,10-11H,2-3,6-9,12H2,1H3,(H,21,22)/b5-4+