[4-[(E)-3-oxidanylidene-3-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]prop-1-enyl]phenyl] methanesulfonate

Systemtic Name: [4-[(E)-3-oxidanylidene-3-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]prop-1-enyl]phenyl] methanesulfonate Openeye Name: [4-[(E)-3-oxo-3-[2-(1-piperidylmethyl)pyrrolidin-1-yl]prop-1-enyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[(E)-3-oxo-3-[2-(1-piperidinylmethyl)-1-pyrrolidinyl]prop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-oxo-3-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]prop-1-enyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[(E)-3-keto-3-[2-(piperidinomethyl)pyrrolidino]prop-1-enyl]phenyl] ester Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)C=CC(=O)N2CCCC2CN3CCCCC3

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)/C=C/C(=O)N2CCCC2CN3CCCCC3

InChI

InChI=1S/C20H28N2O4S/c1-27(24,25)26-19-10-7-17(8-11-19)9-12-20(23)22-15-5-6-18(22)16-21-13-3-2-4-14-21/h7-12,18H,2-6,13-16H2,1H3/b12-9+