N-(2-oxidanyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-oxidanyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-hydroxy-5-(1-piperidylsulfonyl)phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-hydroxy-5-(1-piperidinylsulfonyl)phenyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-hydroxy-5-piperidinosulfonyl-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C23H31N4O4S+ MolecularWeight: 459.58164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

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