(E)-3-(5-methylthiophen-2-yl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(5-methylthiophen-2-yl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-benzylsulfonylpiperazin-1-yl)-3-(5-methyl-2-thienyl)prop-2-en-1-one CAS Name: (E)-3-(5-methyl-2-thiophenyl)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzylsulfonylpiperazin-1-yl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzylsulfonylpiperazino)-3-(5-methyl-2-thienyl)prop-2-en-1-one Formula: C19H22N2O3S2 MolecularWeight: 390.51958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C=CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(S1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N2O3S2/c1-16-7-8-18(25-16)9-10-19(22)20-11-13-21(14-12-20)26(23,24)15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3/b10-9+