3-(3,5-dimethoxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 3-(3,5-dimethoxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-(3,5-dimethoxyphenyl)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-(3,5-dimethoxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-(3,5-dimethoxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-(3,5-dimethoxyphenyl)-1-(4-tosyl-1,4-diazepan-1-yl)propan-1-one Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C23H30N2O5S/c1-18-5-8-22(9-6-18)31(27,28)25-12-4-11-24(13-14-25)23(26)10-7-19-15-20(29-2)17-21(16-19)30-3/h5-6,8-9,15-17H,4,7,10-14H2,1-3H3