N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-pyrrolidinosulfonyl-benzamide Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H22N2O5S/c23-20(21-16-7-8-18-19(14-16)27-12-4-11-26-18)15-5-3-6-17(13-15)28(24,25)22-9-1-2-10-22/h3,5-8,13-14H,1-2,4,9-12H2,(H,21,23)