1-(3,4-diethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-(3,4-diethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(3,4-diethoxyphenyl)sulfonyl-4-(p-tolylsulfonyl)-1,4-diazepane CAS Name: 1-(3,4-diethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(3,4-diethoxyphenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(3,4-diethoxyphenyl)sulfonyl-4-tosyl-1,4-diazepane Formula: C22H30N2O6S2 MolecularWeight: 482.6134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)OCC

InChI

InChI=1S/C22H30N2O6S2/c1-4-29-21-12-11-20(17-22(21)30-5-2)32(27,28)24-14-6-13-23(15-16-24)31(25,26)19-9-7-18(3)8-10-19/h7-12,17H,4-6,13-16H2,1-3H3