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

Systemtic Name: 2-bromanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-pyrrolidinosulfonyl-benzamide Formula: C20H21BrN2O5S MolecularWeight: 481.36014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O5S/c21-17-6-5-15(29(25,26)23-8-1-2-9-23)13-16(17)20(24)22-14-4-7-18-19(12-14)28-11-3-10-27-18/h4-7,12-13H,1-3,8-11H2,(H,22,24)