(E)-4-oxidanylidene-4-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]but-2-enoate

Systemtic Name: (E)-4-oxidanylidene-4-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]but-2-enoate Openeye Name: (E)-4-oxo-4-(4-pyrrolidin-1-ylsulfonylanilino)but-2-enoate CAS Name: (E)-4-oxo-4-[4-(1-pyrrolidinylsulfonyl)anilino]-2-butenoate IUPAC Name: (E)-4-oxo-4-(4-pyrrolidin-1-ylsulfonylanilino)but-2-enoate Traditional Name: (E)-4-keto-4-(4-pyrrolidinosulfonylanilino)but-2-enoate Formula: C14H15N2O5S- MolecularWeight: 323.3443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C=CC(=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C14H16N2O5S/c17-13(7-8-14(18)19)15-11-3-5-12(6-4-11)22(20,21)16-9-1-2-10-16/h3-8H,1-2,9-10H2,(H,15,17)(H,18,19)/p-1/b8-7+