(E)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-3-(3-methylphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-3-(3-methylphenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-3-(m-tolyl)prop-2-en-1-one CAS Name: (E)-1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-3-(3-methylphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-3-(3-methylphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-3-(m-tolyl)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)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC(=CC=C3)C

Isomeric SMILES

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

InChI

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