1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(5-methyl-2-propan-2-yl-phenoxy)ethanone

Systemtic Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(5-methyl-2-propan-2-yl-phenoxy)ethanone Openeye Name: 2-(2-isopropyl-5-methyl-phenoxy)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone Traditional Name: 2-(2-isopropyl-5-methyl-phenoxy)-1-(4-tosyl-1,4-diazepan-1-yl)ethanone Formula: C24H32N2O4S MolecularWeight: 444.58688

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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=CC(=C3)C)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O4S/c1-18(2)22-11-8-20(4)16-23(22)30-17-24(27)25-12-5-13-26(15-14-25)31(28,29)21-9-6-19(3)7-10-21/h6-11,16,18H,5,12-15,17H2,1-4H3