[(1R)-1-(3-fluorophenyl)-2-[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-1-(3-fluorophenyl)-2-[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-(3-fluorophenyl)-2-[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-(3-fluorophenyl)-2-[[[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1R)-1-(3-fluorophenyl)-2-[(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]ethyl]-dimethylazanium Traditional Name: [(1R)-1-(3-fluorophenyl)-2-[(4-methoxy-3-pyrrolidinosulfonyl-benzoyl)amino]ethyl]-dimethyl-ammonium Formula: C22H29FN3O4S+ MolecularWeight: 450.546763

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC2)C3=CC(=CC=C3)F

Isomeric SMILES

C[NH+](C)[C@@H](CNC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC2)C3=CC(=CC=C3)F

InChI

InChI=1S/C22H28FN3O4S/c1-25(2)19(16-7-6-8-18(23)13-16)15-24-22(27)17-9-10-20(30-3)21(14-17)31(28,29)26-11-4-5-12-26/h6-10,13-14,19H,4-5,11-12,15H2,1-3H3,(H,24,27)/p+1/t19-/m0/s1