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

Systemtic Name: (2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide Openeye Name: (2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide CAS Name: (2R)-2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(methylcarbamoyl)propanamide IUPAC Name: (2R)-2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide Traditional Name: (2R)-N-(methylcarbamoyl)-2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)propionamide Formula: C17H27N4O5S+ MolecularWeight: 399.48508

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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(=O)NC

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O5S/c1-4-26-14-5-7-15(8-6-14)27(24,25)21-11-9-20(10-12-21)13(2)16(22)19-17(23)18-3/h5-8,13H,4,9-12H2,1-3H3,(H2,18,19,22,23)/p+1/t13-/m1/s1