1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-ethyl-4-methoxy-phenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-ethyl-4-methoxy-phenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-ethyl-4-methoxy-phenyl)sulfonyl-1,4-diazepane CAS Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-ethyl-4-methoxyphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-ethyl-4-methoxyphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-ethyl-4-methoxy-phenyl)sulfonyl-1,4-diazepane Formula: C22H30N2O7S2 MolecularWeight: 498.6128

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC)OC

Isomeric SMILES

CCC1=C(C=CC(=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C22H30N2O7S2/c1-5-17-15-18(7-9-20(17)29-2)32(25,26)23-11-6-12-24(14-13-23)33(27,28)19-8-10-21(30-3)22(16-19)31-4/h7-10,15-16H,5-6,11-14H2,1-4H3