2-(4-chloranylphenoxy)-2-methyl-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 2-(4-chloranylphenoxy)-2-methyl-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]propan-1-one Openeye Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]propan-1-one CAS Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]propan-1-one Traditional Name: 2-(4-chlorophenoxy)-1-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]-2-methyl-propan-1-one Formula: C23H29ClN2O4S MolecularWeight: 465.00536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCCN(CC1)CC2=CC=C(C=C2)S(=O)(=O)C)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)N1CCCN(CC1)CC2=CC=C(C=C2)S(=O)(=O)C)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H29ClN2O4S/c1-23(2,30-20-9-7-19(24)8-10-20)22(27)26-14-4-13-25(15-16-26)17-18-5-11-21(12-6-18)31(3,28)29/h5-12H,4,13-17H2,1-3H3