2-tert-butylsulfanyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-tert-butylsulfanyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 2-tert-butylsulfanyl-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(tert-butylthio)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-tert-butylsulfanyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(tert-butylthio)-1-(4-tosyl-1,4-diazepan-1-yl)ethanone Formula: C18H28N2O3S2 MolecularWeight: 384.55652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CSC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CSC(C)(C)C

InChI

InChI=1S/C18H28N2O3S2/c1-15-6-8-16(9-7-15)25(22,23)20-11-5-10-19(12-13-20)17(21)14-24-18(2,3)4/h6-9H,5,10-14H2,1-4H3