N-[1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidin-4-yl]benzenesulfonamide

Systemtic Name: N-[1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidin-4-yl]benzenesulfonamide Openeye Name: N-[1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-piperidyl]benzenesulfonamide CAS Name: N-[1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-piperidinyl]benzenesulfonamide IUPAC Name: N-[1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidin-4-yl]benzenesulfonamide Traditional Name: N-[1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-piperidyl]benzenesulfonamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CN3CCC(CC3)NS(=O)(=O)C4=CC=CC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CN3CCC(CC3)NS(=O)(=O)C4=CC=CC=C4)Cl)OC1

InChI

InChI=1S/C21H25ClN2O4S/c22-19-13-16(14-20-21(19)28-12-4-11-27-20)15-24-9-7-17(8-10-24)23-29(25,26)18-5-2-1-3-6-18/h1-3,5-6,13-14,17,23H,4,7-12,15H2