(2S)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(2-thienylmethyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(4-pyrrolidinosulfonylphenyl)-2-[4-(2-thenyl)piperazin-1-ium-1-yl]propionamide Formula: C22H31N4O3S2+ MolecularWeight: 463.63654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+]3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+]3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C22H30N4O3S2/c1-18(25-14-12-24(13-15-25)17-20-5-4-16-30-20)22(27)23-19-6-8-21(9-7-19)31(28,29)26-10-2-3-11-26/h4-9,16,18H,2-3,10-15,17H2,1H3,(H,23,27)/p+1/t18-/m0/s1