N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[3-(1-pyrrolidinylsulfonyl)phenyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-pyrrolidinosulfonylphenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C20H27N4O5S3+ MolecularWeight: 499.64718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H26N4O5S3/c25-19(16-22-10-12-24(13-11-22)32(28,29)20-7-4-14-30-20)21-17-5-3-6-18(15-17)31(26,27)23-8-1-2-9-23/h3-7,14-15H,1-2,8-13,16H2,(H,21,25)/p+1