(E)-1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-pyridin-4-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-pyridin-4-yl-prop-2-en-1-one Openeye Name: (E)-3-(4-pyridyl)-1-[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one CAS Name: (E)-1-[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]-3-pyridin-4-yl-2-propen-1-one IUPAC Name: (E)-1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-pyridin-4-ylprop-2-en-1-one Traditional Name: (E)-3-(4-pyridyl)-1-[4-(4-sec-butylphenyl)sulfonylpiperazino]prop-2-en-1-one Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC=NC=C3

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=NC=C3

InChI

InChI=1S/C22H27N3O3S/c1-3-18(2)20-5-7-21(8-6-20)29(27,28)25-16-14-24(15-17-25)22(26)9-4-19-10-12-23-13-11-19/h4-13,18H,3,14-17H2,1-2H3/b9-4+