1-[(3,4-dichlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane CAS Name: 1-[(3,4-dichlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(3,4-dichlorobenzyl)-4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane Formula: C20H24Cl2N2O4S MolecularWeight: 459.38656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC(=C(C=C3)Cl)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC(=C(C=C3)Cl)Cl)OC

InChI

InChI=1S/C20H24Cl2N2O4S/c1-27-19-7-5-16(13-20(19)28-2)29(25,26)24-9-3-8-23(10-11-24)14-15-4-6-17(21)18(22)12-15/h4-7,12-13H,3,8-11,14H2,1-2H3