2-(4-chloranyl-2-methyl-phenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(4-chloro-2-methyl-phenoxy)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(4-chloro-2-methylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(4-chloro-2-methylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(4-chloro-2-methyl-phenoxy)-1-(4-tosyl-1,4-diazepan-1-yl)ethanone Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)COC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)COC3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C21H25ClN2O4S/c1-16-4-7-19(8-5-16)29(26,27)24-11-3-10-23(12-13-24)21(25)15-28-20-9-6-18(22)14-17(20)2/h4-9,14H,3,10-13,15H2,1-2H3