9-methyl-N-[[1-[3-(methylsulfonylamino)propyl]-3-oxidanyl-piperidin-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide

Systemtic Name: 9-methyl-N-[[1-[3-(methylsulfonylamino)propyl]-3-oxidanyl-piperidin-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide Openeye Name: N-[[3-hydroxy-1-[3-(methanesulfonamido)propyl]-4-piperidyl]methyl]-9-methyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide CAS Name: N-[[3-hydroxy-1-[3-(methanesulfonamido)propyl]-4-piperidinyl]methyl]-9-methyl-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxamide IUPAC Name: N-[[3-hydroxy-1-[3-(methanesulfonamido)propyl]piperidin-4-yl]methyl]-9-methyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide Traditional Name: N-[[3-hydroxy-1-[3-(methanesulfonamido)propyl]-4-piperidyl]methyl]-9-methyl-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxamide Formula: C21H33N3O6S MolecularWeight: 455.56822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C(=O)NCC3CCN(CC3O)CCCNS(=O)(=O)C)OCCCO2

Isomeric SMILES

CC1=C2C(=C(C=C1)C(=O)NCC3CCN(CC3O)CCCNS(=O)(=O)C)OCCCO2

InChI

InChI=1S/C21H33N3O6S/c1-15-5-6-17(20-19(15)29-11-4-12-30-20)21(26)22-13-16-7-10-24(14-18(16)25)9-3-8-23-31(2,27)28/h5-6,16,18,23,25H,3-4,7-14H2,1-2H3,(H,22,26)