1-(3-chloranyl-2-fluoranyl-phenyl)sulfonyl-4-[(2-methylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-(3-chloranyl-2-fluoranyl-phenyl)sulfonyl-4-[(2-methylphenyl)methyl]-1,4-diazepane Openeye Name: 1-(3-chloro-2-fluoro-phenyl)sulfonyl-4-(o-tolylmethyl)-1,4-diazepane CAS Name: 1-(3-chloro-2-fluorophenyl)sulfonyl-4-[(2-methylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-(3-chloro-2-fluorophenyl)sulfonyl-4-[(2-methylphenyl)methyl]-1,4-diazepane Traditional Name: 1-(3-chloro-2-fluoro-phenyl)sulfonyl-4-(2-methylbenzyl)-1,4-diazepane Formula: C19H22ClFN2O2S MolecularWeight: 396.906583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)S(=O)(=O)C3=C(C(=CC=C3)Cl)F

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)S(=O)(=O)C3=C(C(=CC=C3)Cl)F

InChI

InChI=1S/C19H22ClFN2O2S/c1-15-6-2-3-7-16(15)14-22-10-5-11-23(13-12-22)26(24,25)18-9-4-8-17(20)19(18)21/h2-4,6-9H,5,10-14H2,1H3