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

Systemtic Name: (2R)-N-tert-butyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-tert-butyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-tert-butyl-2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-tert-butyl-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-tert-butyl-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)NC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O4S/c1-6-26-16-7-9-17(10-8-16)27(24,25)22-13-11-21(12-14-22)15(2)18(23)20-19(3,4)5/h7-10,15H,6,11-14H2,1-5H3,(H,20,23)/p+1/t15-/m1/s1