[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone

Systemtic Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone Openeye Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone CAS Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-(3-methylsulfonylphenyl)methanone IUPAC Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone Traditional Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-(3-mesylphenyl)methanone Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCC[C@H]2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H23NO5S/c1-28(24,25)17-6-2-5-16(13-17)21(23)22-10-3-7-18(22)15-8-9-19-20(14-15)27-12-4-11-26-19/h2,5-6,8-9,13-14,18H,3-4,7,10-12H2,1H3/t18-/m0/s1