3,3-dimethyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one

Systemtic Name: 3,3-dimethyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one Openeye Name: 3,3-dimethyl-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]butan-1-one CAS Name: 3,3-dimethyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 3,3-dimethyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one Traditional Name: 3,3-dimethyl-1-(4-tosyl-1,4-diazepan-1-yl)butan-1-one Formula: C18H28N2O3S MolecularWeight: 352.49152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O3S/c1-15-6-8-16(9-7-15)24(22,23)20-11-5-10-19(12-13-20)17(21)14-18(2,3)4/h6-9H,5,10-14H2,1-4H3