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

Systemtic Name: N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(4-methyl-3-piperidinosulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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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)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H26N2O6S2/c1-16-6-7-17(14-21(16)31(26,27)23-10-3-2-4-11-23)22-30(24,25)18-8-9-19-20(15-18)29-13-5-12-28-19/h6-9,14-15,22H,2-5,10-13H2,1H3