6-chloranyl-N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-(4-methyl-3-piperidinosulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O5S/c1-15-6-7-17(14-20(15)31(27,28)25-8-3-2-4-9-25)24-22(26)16-12-18(23)21-19(13-16)29-10-5-11-30-21/h6-7,12-14H,2-5,8-11H2,1H3,(H,24,26)