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

Systemtic Name: (E)-3-(4-tert-butylphenyl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-tert-butylphenyl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(4-tert-butylphenyl)-1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(4-tert-butylphenyl)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(4-tert-butylphenyl)-1-[4-(2-nitrophenyl)sulfonylpiperazino]prop-2-en-1-one Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O5S/c1-23(2,3)19-11-8-18(9-12-19)10-13-22(27)24-14-16-25(17-15-24)32(30,31)21-7-5-4-6-20(21)26(28)29/h4-13H,14-17H2,1-3H3/b13-10+