(E)-3-(3-nitrophenyl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-nitrophenyl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-benzylsulfonylpiperazin-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one CAS Name: (E)-3-(3-nitrophenyl)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzylsulfonylpiperazin-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzylsulfonylpiperazino)-3-(3-nitrophenyl)prop-2-en-1-one Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O5S/c24-20(10-9-17-7-4-8-19(15-17)23(25)26)21-11-13-22(14-12-21)29(27,28)16-18-5-2-1-3-6-18/h1-10,15H,11-14,16H2/b10-9+