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

Systemtic Name: (2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide Openeye Name: (2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-isobutyl-propanamide CAS Name: (2R)-2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-methylpropyl)propanamide IUPAC Name: (2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide Traditional Name: (2R)-N-isobutyl-2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)propionamide Formula: C19H32N3O4S+ MolecularWeight: 398.54008

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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)NCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O4S/c1-5-26-17-6-8-18(9-7-17)27(24,25)22-12-10-21(11-13-22)16(4)19(23)20-14-15(2)3/h6-9,15-16H,5,10-14H2,1-4H3,(H,20,23)/p+1/t16-/m1/s1