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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

InChI

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