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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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