1-(2-fluoranyl-4,5-dimethoxy-phenyl)sulfonyl-4-[(4-methylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-(2-fluoranyl-4,5-dimethoxy-phenyl)sulfonyl-4-[(4-methylphenyl)methyl]-1,4-diazepane Openeye Name: 1-(2-fluoro-4,5-dimethoxy-phenyl)sulfonyl-4-(p-tolylmethyl)-1,4-diazepane CAS Name: 1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-4-[(4-methylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-4-[(4-methylphenyl)methyl]-1,4-diazepane Traditional Name: 1-(2-fluoro-4,5-dimethoxy-phenyl)sulfonyl-4-(4-methylbenzyl)-1,4-diazepane Formula: C21H27FN2O4S MolecularWeight: 422.513483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27FN2O4S/c1-16-5-7-17(8-6-16)15-23-9-4-10-24(12-11-23)29(25,26)21-14-20(28-3)19(27-2)13-18(21)22/h5-8,13-14H,4,9-12,15H2,1-3H3