N-(5-bromanyl-2-piperidin-1-ylcarbonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-(5-bromanyl-2-piperidin-1-ylcarbonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[5-bromo-2-[oxo(1-piperidinyl)methyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=C(C=C(C=C2)Br)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=C(C=C(C=C2)Br)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H23BrN2O5S/c22-15-5-7-17(21(25)24-9-2-1-3-10-24)18(13-15)23-30(26,27)16-6-8-19-20(14-16)29-12-4-11-28-19/h5-8,13-14,23H,1-4,9-12H2