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

Systemtic Name: 1,4-bis[(3-tert-butyl-4-methoxy-phenyl)sulfonyl]-1,4-diazepane Openeye Name: 1,4-bis[(3-tert-butyl-4-methoxy-phenyl)sulfonyl]-1,4-diazepane CAS Name: 1,4-bis[(3-tert-butyl-4-methoxyphenyl)sulfonyl]-1,4-diazepane IUPAC Name: 1,4-bis[(3-tert-butyl-4-methoxyphenyl)sulfonyl]-1,4-diazepane Traditional Name: 1,4-bis[(3-tert-butyl-4-methoxy-phenyl)sulfonyl]-1,4-diazepane Formula: C27H40N2O6S2 MolecularWeight: 552.7463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O6S2/c1-26(2,3)22-18-20(10-12-24(22)34-7)36(30,31)28-14-9-15-29(17-16-28)37(32,33)21-11-13-25(35-8)23(19-21)27(4,5)6/h10-13,18-19H,9,14-17H2,1-8H3