1,4-bis[[4-(2-methylpropyl)phenyl]sulfonyl]-1,4-diazepane

Systemtic Name: 1,4-bis[[4-(2-methylpropyl)phenyl]sulfonyl]-1,4-diazepane Openeye Name: 1,4-bis[(4-isobutylphenyl)sulfonyl]-1,4-diazepane CAS Name: 1,4-bis[[4-(2-methylpropyl)phenyl]sulfonyl]-1,4-diazepane IUPAC Name: 1,4-bis[[4-(2-methylpropyl)phenyl]sulfonyl]-1,4-diazepane Traditional Name: 1,4-bis[(4-isobutylphenyl)sulfonyl]-1,4-diazepane Formula: C25H36N2O4S2 MolecularWeight: 492.69434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O4S2/c1-20(2)18-22-6-10-24(11-7-22)32(28,29)26-14-5-15-27(17-16-26)33(30,31)25-12-8-23(9-13-25)19-21(3)4/h6-13,20-21H,5,14-19H2,1-4H3