1,4-bis[(4-fluoranyl-3-methyl-phenyl)sulfonyl]-1,4-diazepane

Systemtic Name: 1,4-bis[(4-fluoranyl-3-methyl-phenyl)sulfonyl]-1,4-diazepane Openeye Name: 1,4-bis[(4-fluoro-3-methyl-phenyl)sulfonyl]-1,4-diazepane CAS Name: 1,4-bis[(4-fluoro-3-methylphenyl)sulfonyl]-1,4-diazepane IUPAC Name: 1,4-bis[(4-fluoro-3-methylphenyl)sulfonyl]-1,4-diazepane Traditional Name: 1,4-bis[(4-fluoro-3-methyl-phenyl)sulfonyl]-1,4-diazepane Formula: C19H22F2N2O4S2 MolecularWeight: 444.515786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22F2N2O4S2/c1-14-12-16(4-6-18(14)20)28(24,25)22-8-3-9-23(11-10-22)29(26,27)17-5-7-19(21)15(2)13-17/h4-7,12-13H,3,8-11H2,1-2H3