1-(5-chloranyl-2-methoxy-phenyl)sulfonyl-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)sulfonyl-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Openeye Name: 1-(5-chloro-2-methoxy-phenyl)sulfonyl-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane CAS Name: 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Traditional Name: 1-(5-chloro-2-methoxy-phenyl)sulfonyl-4-(4-mesylbenzyl)-1,4-diazepane Formula: C20H25ClN2O5S2 MolecularWeight: 473.0059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN2O5S2/c1-28-19-9-6-17(21)14-20(19)30(26,27)23-11-3-10-22(12-13-23)15-16-4-7-18(8-5-16)29(2,24)25/h4-9,14H,3,10-13,15H2,1-2H3