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

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Traditional Name: N-(3,4-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=C(C=C(C=C1)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)OC

Isomeric SMILES

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

InChI

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