3-(2-methylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 3-(2-methylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-(2-methylphenoxy)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-(2-methylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-(2-methylphenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-(2-methylphenoxy)-1-(4-tosyl-1,4-diazepan-1-yl)propan-1-one Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCOC3=CC=CC=C3C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCOC3=CC=CC=C3C

InChI

InChI=1S/C22H28N2O4S/c1-18-8-10-20(11-9-18)29(26,27)24-14-5-13-23(15-16-24)22(25)12-17-28-21-7-4-3-6-19(21)2/h3-4,6-11H,5,12-17H2,1-2H3