2-methyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one

Systemtic Name: 2-methyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one Openeye Name: 2-methyl-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]butan-1-one CAS Name: 2-methyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 2-methyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one Traditional Name: 2-methyl-1-(4-tosyl-1,4-diazepan-1-yl)butan-1-one Formula: C17H26N2O3S MolecularWeight: 338.46494

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C)C(=O)N1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H26N2O3S/c1-4-15(3)17(20)18-10-5-11-19(13-12-18)23(21,22)16-8-6-14(2)7-9-16/h6-9,15H,4-5,10-13H2,1-3H3