3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonyl-4-methyl-benzenesulfonamide

Systemtic Name: 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonyl-4-methyl-benzenesulfonamide Openeye Name: 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-4-methyl-benzenesulfonamide CAS Name: 3-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-oxomethyl]-4-methylbenzenesulfonamide IUPAC Name: 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-4-methylbenzenesulfonamide Traditional Name: 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-4-methyl-benzenesulfonamide Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

InChI

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