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

Systemtic Name: 2-(2-methylphenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(o-tolyl)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(2-methylphenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(2-methylphenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(o-tolyl)-1-(4-tosyl-1,4-diazepan-1-yl)ethanone Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CC3=CC=CC=C3C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CC3=CC=CC=C3C

InChI

InChI=1S/C21H26N2O3S/c1-17-8-10-20(11-9-17)27(25,26)23-13-5-12-22(14-15-23)21(24)16-19-7-4-3-6-18(19)2/h3-4,6-11H,5,12-16H2,1-2H3