4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonyl-N-methyl-benzamide

Systemtic Name: 4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonyl-N-methyl-benzamide Openeye Name: 4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonyl-N-methyl-benzamide CAS Name: 4-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]sulfonyl]-N-methylbenzamide IUPAC Name: 4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonyl-N-methylbenzamide Traditional Name: 4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]sulfonyl-N-methyl-benzamide Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-22-21(24)15-5-8-17(9-6-15)29(25,26)23-11-2-4-18(23)16-7-10-19-20(14-16)28-13-3-12-27-19/h5-10,14,18H,2-4,11-13H2,1H3,(H,22,24)/t18-/m0/s1