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

Systemtic Name: (E)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-3-(3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-(3-nitrophenyl)-1-(4-p-phenetylsulfonylpiperazino)prop-2-en-1-one Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6S/c1-2-30-19-7-9-20(10-8-19)31(28,29)23-14-12-22(13-15-23)21(25)11-6-17-4-3-5-18(16-17)24(26)27/h3-11,16H,2,12-15H2,1H3/b11-6+