2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxy-phenyl)ethanamide

Systemtic Name: 2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxy-phenyl)ethanamide Openeye Name: N-(2-isopropoxy-5-morpholinosulfonyl-phenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: 2-[(2S)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]-N-[5-(4-morpholinylsulfonyl)-2-propan-2-yloxyphenyl]acetamide IUPAC Name: 2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide Traditional Name: N-(2-isopropoxy-5-morpholinosulfonyl-phenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide Formula: C24H35N4O5S+ MolecularWeight: 491.6235

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[NH+]3CCCC3C4=CC=CN4C

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[NH+]3CCC[C@H]3C4=CC=CN4C

InChI

InChI=1S/C24H34N4O5S/c1-18(2)33-23-9-8-19(34(30,31)28-12-14-32-15-13-28)16-20(23)25-24(29)17-27-11-5-7-22(27)21-6-4-10-26(21)3/h4,6,8-10,16,18,22H,5,7,11-15,17H2,1-3H3,(H,25,29)/p+1/t22-/m0/s1