1,4-bis[(4-methoxy-3-methyl-phenyl)sulfonyl]-1,4-diazepane

Systemtic Name: 1,4-bis[(4-methoxy-3-methyl-phenyl)sulfonyl]-1,4-diazepane Openeye Name: 1,4-bis[(4-methoxy-3-methyl-phenyl)sulfonyl]-1,4-diazepane CAS Name: 1,4-bis[(4-methoxy-3-methylphenyl)sulfonyl]-1,4-diazepane IUPAC Name: 1,4-bis[(4-methoxy-3-methylphenyl)sulfonyl]-1,4-diazepane Traditional Name: 1,4-bis[(4-methoxy-3-methyl-phenyl)sulfonyl]-1,4-diazepane Formula: C21H28N2O6S2 MolecularWeight: 468.58682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O6S2/c1-16-14-18(6-8-20(16)28-3)30(24,25)22-10-5-11-23(13-12-22)31(26,27)19-7-9-21(29-4)17(2)15-19/h6-9,14-15H,5,10-13H2,1-4H3