2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-(2-pyrrolidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-(2-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-[2-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-(2-pyrrolidinophenyl)acetamide Formula: C23H30FN4O3S+ MolecularWeight: 461.572703

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=CC=C2NC(=O)C[NH+]3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C1)C2=CC=CC=C2NC(=O)C[NH+]3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H29FN4O3S/c24-19-8-10-20(11-9-19)32(30,31)28-15-5-12-26(16-17-28)18-23(29)25-21-6-1-2-7-22(21)27-13-3-4-14-27/h1-2,6-11H,3-5,12-18H2,(H,25,29)/p+1