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

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propanamide Openeye Name: N-(3,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propanamide CAS Name: N-(3,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propanamide IUPAC Name: N-(3,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propanamide Traditional Name: N-(3,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propionamide Formula: C22H28FN3O5S MolecularWeight: 465.538223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC(=C1)OC)OC)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)NC1=CC(=CC(=C1)OC)OC)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H28FN3O5S/c1-16(22(27)24-18-13-19(30-2)15-20(14-18)31-3)25-9-4-10-26(12-11-25)32(28,29)21-7-5-17(23)6-8-21/h5-8,13-16H,4,9-12H2,1-3H3,(H,24,27)