(E)-3-[4-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(3-oxopiperazin-1-yl)sulfonylphenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(3-oxopiperazin-1-yl)sulfonylphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(3-ketopiperazino)sulfonylphenyl]acrylic acid Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)O

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)O

InChI

InChI=1S/C13H14N2O5S/c16-12-9-15(8-7-14-12)21(19,20)11-4-1-10(2-5-11)3-6-13(17)18/h1-6H,7-9H2,(H,14,16)(H,17,18)/b6-3+