N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)acetamide CAS Name: N-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)acetamide Formula: C23H31N4O4S+ MolecularWeight: 459.58164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H30N4O4S/c28-22-9-8-20(32(30,31)27-10-4-5-11-27)16-21(22)24-23(29)18-26-14-12-25(13-15-26)17-19-6-2-1-3-7-19/h1-3,6-9,16,28H,4-5,10-15,17-18H2,(H,24,29)/p+1