(E)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-mesyl-1,4-diazepan-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCCN(CC2)S(=O)(=O)C

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C18H26N2O6S/c1-24-15-12-14(13-16(25-2)18(15)26-3)6-7-17(21)19-8-5-9-20(11-10-19)27(4,22)23/h6-7,12-13H,5,8-11H2,1-4H3/b7-6+