(E)-3-(3-nitro-4-sulfanyl-phenyl)-1-[4-(2-oxidanylethanoyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-nitro-4-sulfanyl-phenyl)-1-[4-(2-oxidanylethanoyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-1-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-(3-nitro-4-sulfanyl-phenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(2-hydroxy-1-oxoethyl)-1-piperazinyl]-3-(4-mercapto-3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-(3-nitro-4-sulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-glycoloylpiperazino)-3-(4-mercapto-3-nitro-phenyl)prop-2-en-1-one Formula: C15H17N3O5S MolecularWeight: 351.37758

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CO)C(=O)C=CC2=CC(=C(C=C2)S)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CO)C(=O)/C=C/C2=CC(=C(C=C2)S)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O5S/c19-10-15(21)17-7-5-16(6-8-17)14(20)4-2-11-1-3-13(24)12(9-11)18(22)23/h1-4,9,19,24H,5-8,10H2/b4-2+