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

Systemtic Name: (2S)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2S)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2S)-2-[4-(2-chlorophenyl)-1-piperazin-1-iumyl]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2S)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C23H30ClN4O3S+ MolecularWeight: 478.0273

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)C4=CC=CC=C4Cl

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+]3CCN(CC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H29ClN4O3S/c1-18(26-14-16-27(17-15-26)22-7-3-2-6-21(22)24)23(29)25-19-8-10-20(11-9-19)32(30,31)28-12-4-5-13-28/h2-3,6-11,18H,4-5,12-17H2,1H3,(H,25,29)/p+1/t18-/m0/s1