(Z)-3-methyl-4-oxidanylidene-4-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]but-2-enoic acid

Systemtic Name: (Z)-3-methyl-4-oxidanylidene-4-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]but-2-enoic acid Openeye Name: (Z)-3-methyl-4-oxo-4-(4-pyrrolidin-1-ylsulfonylanilino)but-2-enoic acid CAS Name: (Z)-3-methyl-4-oxo-4-[4-(1-pyrrolidinylsulfonyl)anilino]-2-butenoic acid IUPAC Name: (Z)-3-methyl-4-oxo-4-(4-pyrrolidin-1-ylsulfonylanilino)but-2-enoic acid Traditional Name: (Z)-4-keto-3-methyl-4-(4-pyrrolidinosulfonylanilino)but-2-enoic acid Formula: C15H18N2O5S MolecularWeight: 338.37882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

C/C(=C/C(=O)O)/C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C15H18N2O5S/c1-11(10-14(18)19)15(20)16-12-4-6-13(7-5-12)23(21,22)17-8-2-3-9-17/h4-7,10H,2-3,8-9H2,1H3,(H,16,20)(H,18,19)/b11-10-