N-(3,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(3,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide CAS Name: N-(3,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(3,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Traditional Name: N-(3,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Formula: C21H26FN3O5S MolecularWeight: 451.511643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C21H26FN3O5S/c1-29-18-12-17(13-19(14-18)30-2)23-21(26)15-24-8-3-9-25(11-10-24)31(27,28)20-6-4-16(22)5-7-20/h4-7,12-14H,3,8-11,15H2,1-2H3,(H,23,26)