[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone

Systemtic Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone Openeye Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[4-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-[4-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-(4-piperidinosulfonylphenyl)methanone Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCC3C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC[C@H]3C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C24H28N2O5S/c27-24(18-6-9-20(10-7-18)32(28,29)25-12-2-1-3-13-25)26-14-4-5-21(26)19-8-11-22-23(17-19)31-16-15-30-22/h6-11,17,21H,1-5,12-16H2/t21-/m0/s1