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

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S/c1-16-3-6-18(7-4-16)8-10-21(25)22-11-13-23(14-12-22)30(28,29)20-15-19(24(26)27)9-5-17(20)2/h3-10,15H,11-14H2,1-2H3/b10-8+