3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(2-phenylpyrrolidin-1-yl)propan-1-one

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(2-phenylpyrrolidin-1-yl)propan-1-one Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(2-phenylpyrrolidin-1-yl)propan-1-one CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(2-phenyl-1-pyrrolidinyl)-1-propanone IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(2-phenylpyrrolidin-1-yl)propan-1-one Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(2-phenylpyrrolidino)propan-1-one Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

Isomeric SMILES

C1CC(N(C1)C(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H23NO5S/c23-21(22-11-4-7-18(22)16-5-2-1-3-6-16)10-14-28(24,25)17-8-9-19-20(15-17)27-13-12-26-19/h1-3,5-6,8-9,15,18H,4,7,10-14H2