1-(4-methylphenyl)sulfonyl-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-methylsulfonylphenyl)methyl]-4-(p-tolylsulfonyl)-1,4-diazepane CAS Name: 1-(4-methylphenyl)sulfonyl-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Traditional Name: 1-(4-mesylbenzyl)-4-tosyl-1,4-diazepane Formula: C20H26N2O4S2 MolecularWeight: 422.56144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H26N2O4S2/c1-17-4-8-20(9-5-17)28(25,26)22-13-3-12-21(14-15-22)16-18-6-10-19(11-7-18)27(2,23)24/h4-11H,3,12-16H2,1-2H3