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

Systemtic Name: 2-(2-butan-2-ylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-2-(2-sec-butylphenoxy)ethanone CAS Name: 2-(2-butan-2-ylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(2-butan-2-ylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(2-sec-butylphenoxy)-1-(4-tosyl-1,4-diazepan-1-yl)ethanone Formula: C24H32N2O4S MolecularWeight: 444.58688

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(C)C1=CC=CC=C1OCC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H32N2O4S/c1-4-20(3)22-8-5-6-9-23(22)30-18-24(27)25-14-7-15-26(17-16-25)31(28,29)21-12-10-19(2)11-13-21/h5-6,8-13,20H,4,7,14-18H2,1-3H3