(2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenyl-propanamide

Systemtic Name: (2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenyl-propanamide Openeye Name: (2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenyl-propanamide CAS Name: (2R)-2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-phenylpropanamide IUPAC Name: (2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenylpropanamide Traditional Name: (2R)-N-phenyl-2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)propionamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4S/c1-3-28-19-9-11-20(12-10-19)29(26,27)24-15-13-23(14-16-24)17(2)21(25)22-18-7-5-4-6-8-18/h4-12,17H,3,13-16H2,1-2H3,(H,22,25)/p+1/t17-/m1/s1