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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-4-[(4-methylphenyl)methyl]-1,4-diazepane Openeye Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-4-(p-tolylmethyl)-1,4-diazepane CAS Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]-1,4-diazepane Traditional Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-4-(4-methylbenzyl)-1,4-diazepane Formula: C19H22ClFN2O2S MolecularWeight: 396.906583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C19H22ClFN2O2S/c1-15-3-5-16(6-4-15)14-22-9-2-10-23(12-11-22)26(24,25)17-7-8-19(21)18(20)13-17/h3-8,13H,2,9-12,14H2,1H3