1-(4-methylsulfonylpiperazin-1-yl)-2-(3-nitrophenyl)prop-2-en-1-one

Systemtic Name: 1-(4-methylsulfonylpiperazin-1-yl)-2-(3-nitrophenyl)prop-2-en-1-one Openeye Name: 1-(4-methylsulfonylpiperazin-1-yl)-2-(3-nitrophenyl)prop-2-en-1-one CAS Name: 1-(4-methylsulfonyl-1-piperazinyl)-2-(3-nitrophenyl)-2-propen-1-one IUPAC Name: 1-(4-methylsulfonylpiperazin-1-yl)-2-(3-nitrophenyl)prop-2-en-1-one Traditional Name: 1-(4-mesylpiperazino)-2-(3-nitrophenyl)prop-2-en-1-one Formula: C14H17N3O5S MolecularWeight: 339.36688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O5S/c1-11(12-4-3-5-13(10-12)17(19)20)14(18)15-6-8-16(9-7-15)23(2,21)22/h3-5,10H,1,6-9H2,2H3