1-(4-methylsulfonylpiperazin-1-yl)-2-(3-nitro-4-sulfanyl-phenyl)prop-2-en-1-one

Systemtic Name: 1-(4-methylsulfonylpiperazin-1-yl)-2-(3-nitro-4-sulfanyl-phenyl)prop-2-en-1-one Openeye Name: 1-(4-methylsulfonylpiperazin-1-yl)-2-(3-nitro-4-sulfanyl-phenyl)prop-2-en-1-one CAS Name: 2-(4-mercapto-3-nitrophenyl)-1-(4-methylsulfonyl-1-piperazinyl)-2-propen-1-one IUPAC Name: 1-(4-methylsulfonylpiperazin-1-yl)-2-(3-nitro-4-sulfanylphenyl)prop-2-en-1-one Traditional Name: 2-(4-mercapto-3-nitro-phenyl)-1-(4-mesylpiperazino)prop-2-en-1-one Formula: C14H17N3O5S2 MolecularWeight: 371.43188

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O5S2/c1-10(11-3-4-13(23)12(9-11)17(19)20)14(18)15-5-7-16(8-6-15)24(2,21)22/h3-4,9,23H,1,5-8H2,2H3