N-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]-3-phenyl-5-thiomorpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]-3-phenyl-5-thiomorpholin-4-ylsulfonyl-benzamide Openeye Name: N-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]-3-phenyl-5-thiomorpholinosulfonyl-benzamide CAS Name: N-[2-[(2S)-1-methyl-2-pyrrolidin-1-iumyl]ethyl]-3-phenyl-5-thiomorpholin-4-ylsulfonylbenzamide IUPAC Name: N-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]-3-phenyl-5-thiomorpholin-4-ylsulfonylbenzamide Traditional Name: N-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]-3-phenyl-5-thiomorpholinosulfonyl-benzamide Formula: C24H32N3O3S2+ MolecularWeight: 474.65918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC1CCNC(=O)C2=CC(=CC(=C2)C3=CC=CC=C3)S(=O)(=O)N4CCSCC4

Isomeric SMILES

C[NH+]1CCC[C@H]1CCNC(=O)C2=CC(=CC(=C2)C3=CC=CC=C3)S(=O)(=O)N4CCSCC4

InChI

InChI=1S/C24H31N3O3S2/c1-26-11-5-8-22(26)9-10-25-24(28)21-16-20(19-6-3-2-4-7-19)17-23(18-21)32(29,30)27-12-14-31-15-13-27/h2-4,6-7,16-18,22H,5,8-15H2,1H3,(H,25,28)/p+1/t22-/m0/s1