N-[1-(4-bromophenyl)propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[1-(4-bromophenyl)propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[1-(4-bromophenyl)propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[1-(4-bromophenyl)propyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[1-(4-bromophenyl)propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[1-(4-bromophenyl)propyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C18H20BrNO4S MolecularWeight: 426.3247

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCC(C1=CC=C(C=C1)Br)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H20BrNO4S/c1-2-16(13-4-6-14(19)7-5-13)20-25(21,22)15-8-9-17-18(12-15)24-11-3-10-23-17/h4-9,12,16,20H,2-3,10-11H2,1H3