N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]ethanamide

Systemtic Name: N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]ethanamide Openeye Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide CAS Name: N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-2-[(2R,6R)-2,6-dimethyl-4-morpholin-4-iumyl]acetamide IUPAC Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide Traditional Name: N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide Formula: C18H27ClN3O4S+ MolecularWeight: 416.94268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

C[C@@H]1C[NH+](C[C@H](O1)C)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C18H26ClN3O4S/c1-13-10-21(11-14(2)26-13)12-18(23)20-17-9-15(5-6-16(17)19)27(24,25)22-7-3-4-8-22/h5-6,9,13-14H,3-4,7-8,10-12H2,1-2H3,(H,20,23)/p+1/t13-,14-/m1/s1