N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C22H28N2O6S2 MolecularWeight: 480.59752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H28N2O6S2/c1-17-7-8-18(15-22(17)32(27,28)24-11-4-2-3-5-12-24)23-31(25,26)19-9-10-20-21(16-19)30-14-6-13-29-20/h7-10,15-16,23H,2-6,11-14H2,1H3