2-[(5-chloranylthiophen-2-yl)methylsulfanyl]-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-[(5-chloranylthiophen-2-yl)methylsulfanyl]-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 2-[(5-chloro-2-thienyl)methylsulfanyl]-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-[(5-chloro-2-thiophenyl)methylthio]-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 2-[(5-chloro-2-thienyl)methylthio]-1-(4-tosyl-1,4-diazepan-1-yl)ethanone Formula: C19H23ClN2O3S3 MolecularWeight: 459.04552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CSCC3=CC=C(S3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CSCC3=CC=C(S3)Cl

InChI

InChI=1S/C19H23ClN2O3S3/c1-15-3-6-17(7-4-15)28(24,25)22-10-2-9-21(11-12-22)19(23)14-26-13-16-5-8-18(20)27-16/h3-8H,2,9-14H2,1H3