N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C22H28ClN4O3S+ MolecularWeight: 464.00072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN4O3S/c23-20-9-8-19(31(29,30)27-10-4-5-11-27)16-21(20)24-22(28)17-25-12-14-26(15-13-25)18-6-2-1-3-7-18/h1-3,6-9,16H,4-5,10-15,17H2,(H,24,28)/p+1