(2S)-N-(4-morpholin-4-ylsulfonylphenyl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(4-morpholin-4-ylsulfonylphenyl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propanamide Openeye Name: (2S)-N-(4-morpholinosulfonylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propanamide CAS Name: (2S)-N-[4-(4-morpholinylsulfonyl)phenyl]-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]propanamide IUPAC Name: (2S)-N-(4-morpholin-4-ylsulfonylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]propanamide Traditional Name: (2S)-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]-N-(4-morpholinosulfonylphenyl)propionamide Formula: C23H36N5O5S+ MolecularWeight: 494.62744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C23H35N5O5S/c1-19(26-12-10-25(11-13-26)18-22(29)27-8-2-3-9-27)23(30)24-20-4-6-21(7-5-20)34(31,32)28-14-16-33-17-15-28/h4-7,19H,2-3,8-18H2,1H3,(H,24,30)/p+1/t19-/m0/s1