2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[3-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[3-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(3-piperidinosulfonylphenyl)propionamide Formula: C23H28N2O5S2 MolecularWeight: 476.60882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)SC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)SC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H28N2O5S2/c1-17(31-19-9-10-21-22(16-19)30-14-6-13-29-21)23(26)24-18-7-5-8-20(15-18)32(27,28)25-11-3-2-4-12-25/h5,7-10,15-17H,2-4,6,11-14H2,1H3,(H,24,26)