2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-[(1R)-2-methyl-1-phenyl-propyl]ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-[(1R)-2-methyl-1-phenyl-propyl]ethanamide Openeye Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-[(1R)-2-methyl-1-phenyl-propyl]acetamide CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-[(1R)-2-methyl-1-phenylpropyl]acetamide IUPAC Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-[(1R)-2-methyl-1-phenylpropyl]acetamide Traditional Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-N-[(1R)-2-methyl-1-phenyl-propyl]acetamide Formula: C23H31FN3O3S+ MolecularWeight: 448.573943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)NC(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)[C@H](C1=CC=CC=C1)NC(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H30FN3O3S/c1-18(2)23(19-7-4-3-5-8-19)25-22(28)17-26-13-6-14-27(16-15-26)31(29,30)21-11-9-20(24)10-12-21/h3-5,7-12,18,23H,6,13-17H2,1-2H3,(H,25,28)/p+1/t23-/m1/s1