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

Systemtic Name: 1-(2-fluoranyl-5-methyl-phenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-(2-fluoro-5-methyl-phenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-(2-fluoro-5-methylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-(2-fluoro-5-methylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-(2-fluoro-5-methyl-phenyl)sulfonyl-4-p-anisyl-1,4-diazepane Formula: C20H25FN2O3S MolecularWeight: 392.487503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)F)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)F)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H25FN2O3S/c1-16-4-9-19(21)20(14-16)27(24,25)23-11-3-10-22(12-13-23)15-17-5-7-18(26-2)8-6-17/h4-9,14H,3,10-13,15H2,1-2H3