2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethoxy]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethoxy]-5-pyrrolidinosulfonyl-benzamide Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)C3=CC4=C(C=C3)OCCCO4)C(=O)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)C3=CC4=C(C=C3)OCCCO4)C(=O)N

InChI

InChI=1S/C22H24N2O7S/c23-22(26)17-13-16(32(27,28)24-8-1-2-9-24)5-7-19(17)31-14-18(25)15-4-6-20-21(12-15)30-11-3-10-29-20/h4-7,12-13H,1-3,8-11,14H2,(H2,23,26)