N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-[4-(2-thienylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-2-[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)-2-[4-(2-thenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H28ClN4O3S2+ MolecularWeight: 484.05502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C21H27ClN4O3S2/c22-19-6-5-18(31(28,29)26-7-1-2-8-26)14-20(19)23-21(27)16-25-11-9-24(10-12-25)15-17-4-3-13-30-17/h3-6,13-14H,1-2,7-12,15-16H2,(H,23,27)/p+1