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

Systemtic Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone Openeye Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone CAS Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-(3-methylsulfonylphenyl)methanone IUPAC Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone Traditional Name: [(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-(3-mesylphenyl)methanone Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCC2C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCC[C@H]2C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H21NO5S/c1-27(23,24)16-5-2-4-15(12-16)20(22)21-9-3-6-17(21)14-7-8-18-19(13-14)26-11-10-25-18/h2,4-5,7-8,12-13,17H,3,6,9-11H2,1H3/t17-/m0/s1