(E)-3-(4-methylsulfonylphenyl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(4-methylsulfonylphenyl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-methylsulfonylphenyl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(4-methylsulfonylphenyl)-1-[2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]-2-propen-1-one IUPAC Name: (E)-3-(4-methylsulfonylphenyl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(4-mesylphenyl)-1-[2-(pyrrolidinomethyl)pyrrolidino]prop-2-en-1-one Formula: C19H26N2O3S MolecularWeight: 362.48634

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C=CC(=O)N2CCCC2CN3CCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)N2CCCC2CN3CCCC3

InChI

InChI=1S/C19H26N2O3S/c1-25(23,24)18-9-6-16(7-10-18)8-11-19(22)21-14-4-5-17(21)15-20-12-2-3-13-20/h6-11,17H,2-5,12-15H2,1H3/b11-8+