(2R)-1-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R)-1-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-1-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-1-[2-[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-N,N-dimethyl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-1-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N,N-dimethylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-1-[2-[4-(2-cyanophenyl)sulfonylpiperazino]-2-keto-ethyl]-N,N-dimethyl-pyrrolidin-1-ium-2-carboxamide Formula: C20H28N5O4S+ MolecularWeight: 434.53242

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CCC[NH+]1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CN(C)C(=O)[C@H]1CCC[NH+]1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H27N5O4S/c1-22(2)20(27)17-7-5-9-24(17)15-19(26)23-10-12-25(13-11-23)30(28,29)18-8-4-3-6-16(18)14-21/h3-4,6,8,17H,5,7,9-13,15H2,1-2H3/p+1/t17-/m1/s1