(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)propanamide

Systemtic Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)propanamide Openeye Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-methyl-3-morpholinosulfonyl-phenyl)propanamide CAS Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(4-methyl-3-morpholinosulfonyl-phenyl)propionamide Formula: C23H28N2O6S2 MolecularWeight: 492.60822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=CC3=C(C=C2)OCCCO3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)SC2=CC3=C(C=C2)OCCCO3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H28N2O6S2/c1-16-4-5-18(14-22(16)33(27,28)25-8-12-29-13-9-25)24-23(26)17(2)32-19-6-7-20-21(15-19)31-11-3-10-30-20/h4-7,14-15,17H,3,8-13H2,1-2H3,(H,24,26)/t17-/m0/s1