3-(1,3-benzodioxol-5-yl)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-(4-p-cumenylsulfonylpiperazino)prop-2-en-1-one Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H26N2O5S/c1-17(2)19-5-7-20(8-6-19)31(27,28)25-13-11-24(12-14-25)23(26)10-4-18-3-9-21-22(15-18)30-16-29-21/h3-10,15,17H,11-14,16H2,1-2H3