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

Systemtic Name: (E)-3-(2-methoxy-5-methyl-phenyl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2-methoxy-5-methyl-phenyl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2-methoxy-5-methylphenyl)-1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(2-methoxy-5-methylphenyl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(2-methoxy-5-methyl-phenyl)-1-[4-(2-nitrophenyl)sulfonylpiperazino]prop-2-en-1-one Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6S/c1-16-7-9-19(30-2)17(15-16)8-10-21(25)22-11-13-23(14-12-22)31(28,29)20-6-4-3-5-18(20)24(26)27/h3-10,15H,11-14H2,1-2H3/b10-8+