(E)-3-(2-methoxy-5-methyl-phenyl)-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(2-methoxy-5-methyl-phenyl)-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(2-methoxy-5-methyl-phenyl)-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(2-methoxy-5-methylphenyl)-1-(4-methylsulfonyl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-(2-methoxy-5-methylphenyl)-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-mesylpiperazino)-3-(2-methoxy-5-methyl-phenyl)prop-2-en-1-one Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C=CC(=O)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C16H22N2O4S/c1-13-4-6-15(22-2)14(12-13)5-7-16(19)17-8-10-18(11-9-17)23(3,20)21/h4-7,12H,8-11H2,1-3H3/b7-5+