N-[1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]cyclopropanecarboxamide

Systemtic Name: N-[1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]cyclopropanecarboxamide Openeye Name: N-[1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]-3-methylsulfanyl-propyl]cyclopropanecarboxamide CAS Name: N-[1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]cyclopropanecarboxamide IUPAC Name: N-[1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]cyclopropanecarboxamide Traditional Name: N-[1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]-3-(methylthio)propyl]cyclopropanecarboxamide Formula: C22H31N3O6S2 MolecularWeight: 497.62804

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)NC(=O)C4CC4

Isomeric SMILES

CSCCC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)NC(=O)C4CC4

InChI

InChI=1S/C22H31N3O6S2/c1-32-14-7-18(23-21(26)16-3-4-16)22(27)24-8-10-25(11-9-24)33(28,29)17-5-6-19-20(15-17)31-13-2-12-30-19/h5-6,15-16,18H,2-4,7-14H2,1H3,(H,23,26)