1-[(2S)-2-(oxan-2-yloxymethyl)pyrrolidin-1-yl]-2-(phenylsulfonyl)butan-1-one

Systemtic Name: 1-[(2S)-2-(oxan-2-yloxymethyl)pyrrolidin-1-yl]-2-(phenylsulfonyl)butan-1-one Openeye Name: 2-(benzenesulfonyl)-1-[(2S)-2-(tetrahydropyran-2-yloxymethyl)pyrrolidin-1-yl]butan-1-one CAS Name: 2-(benzenesulfonyl)-1-[(2S)-2-(2-oxanyloxymethyl)-1-pyrrolidinyl]-1-butanone IUPAC Name: 2-(benzenesulfonyl)-1-[(2S)-2-(oxan-2-yloxymethyl)pyrrolidin-1-yl]butan-1-one Traditional Name: 2-besyl-1-[(2S)-2-(tetrahydropyran-2-yloxymethyl)pyrrolidino]butan-1-one Formula: C20H29NO5S MolecularWeight: 395.51296

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCCC1COC2CCCCO2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)N1CCC[C@H]1COC2CCCCO2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H29NO5S/c1-2-18(27(23,24)17-10-4-3-5-11-17)20(22)21-13-8-9-16(21)15-26-19-12-6-7-14-25-19/h3-5,10-11,16,18-19H,2,6-9,12-15H2,1H3/t16-,18?,19?/m0/s1