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

Systemtic Name: (E)-3-(2,4-dimethylphenyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2,4-dimethylphenyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2,4-dimethylphenyl)-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(2,4-dimethylphenyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(2,4-dimethylphenyl)-1-[4-(3-nitrophenyl)sulfonylpiperazino]prop-2-en-1-one Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H23N3O5S/c1-16-6-7-18(17(2)14-16)8-9-21(25)22-10-12-23(13-11-22)30(28,29)20-5-3-4-19(15-20)24(26)27/h3-9,14-15H,10-13H2,1-2H3/b9-8+