1-(4-chloranylphenoxy)-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-2-ol

Systemtic Name: 1-(4-chloranylphenoxy)-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-2-ol Openeye Name: 1-(4-chlorophenoxy)-3-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propan-2-ol CAS Name: 1-(4-chlorophenoxy)-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-propanol IUPAC Name: 1-(4-chlorophenoxy)-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-2-ol Traditional Name: 1-(4-chlorophenoxy)-3-(4-tosyl-1,4-diazepan-1-yl)propan-2-ol Formula: C21H27ClN2O4S MolecularWeight: 438.96808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O4S/c1-17-3-9-21(10-4-17)29(26,27)24-12-2-11-23(13-14-24)15-19(25)16-28-20-7-5-18(22)6-8-20/h3-10,19,25H,2,11-16H2,1H3