1,4-bis[(2-methyl-5-propan-2-yl-phenyl)sulfonyl]-1,4-diazepane

Systemtic Name: 1,4-bis[(2-methyl-5-propan-2-yl-phenyl)sulfonyl]-1,4-diazepane Openeye Name: 1,4-bis[(5-isopropyl-2-methyl-phenyl)sulfonyl]-1,4-diazepane CAS Name: 1,4-bis[(2-methyl-5-propan-2-ylphenyl)sulfonyl]-1,4-diazepane IUPAC Name: 1,4-bis[(2-methyl-5-propan-2-ylphenyl)sulfonyl]-1,4-diazepane Traditional Name: 1,4-bis[(5-isopropyl-2-methyl-phenyl)sulfonyl]-1,4-diazepane Formula: C25H36N2O4S2 MolecularWeight: 492.69434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O4S2/c1-18(2)22-10-8-20(5)24(16-22)32(28,29)26-12-7-13-27(15-14-26)33(30,31)25-17-23(19(3)4)11-9-21(25)6/h8-11,16-19H,7,12-15H2,1-6H3