(2R)-N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-1-(4-chlorophenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2R)-N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-1-(4-chlorophenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2R)-N-[1-(2-amino-2-oxo-ethyl)piperidin-1-ium-4-yl]-1-(4-chlorophenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: (2R)-N-[1-(2-amino-2-oxoethyl)-4-piperidin-1-iumyl]-1-(4-chlorophenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2R)-N-[1-(2-amino-2-oxoethyl)piperidin-1-ium-4-yl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2R)-N-[1-(2-amino-2-keto-ethyl)piperidin-1-ium-4-yl]-1-(4-chlorophenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C18H26ClN4O4S+ MolecularWeight: 429.94144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)NC3CC[NH+](CC3)CC(=O)N

Isomeric SMILES

C1C[C@@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)NC3CC[NH+](CC3)CC(=O)N

InChI

InChI=1S/C18H25ClN4O4S/c19-13-3-5-15(6-4-13)28(26,27)23-9-1-2-16(23)18(25)21-14-7-10-22(11-8-14)12-17(20)24/h3-6,14,16H,1-2,7-12H2,(H2,20,24)(H,21,25)/p+1/t16-/m1/s1