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

Systemtic Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one Openeye Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one CAS Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]-1-propanone IUPAC Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one Traditional Name: 1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-3-(4-pyrrolidinosulfonylphenyl)propan-1-one Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCCC3C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCC[C@H]3C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H30N2O5S/c28-25(12-7-19-5-9-21(10-6-19)33(29,30)26-13-1-2-14-26)27-15-3-4-22(27)20-8-11-23-24(18-20)32-17-16-31-23/h5-6,8-11,18,22H,1-4,7,12-17H2/t22-/m0/s1