(2R)-N-aminocarbonyl-2-phenyl-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: (2R)-N-aminocarbonyl-2-phenyl-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: (2R)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-carbamoyl-2-phenyl-acetamide CAS Name: (2R)-N-carbamoyl-2-phenyl-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: (2R)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-carbamoyl-2-phenylacetamide Traditional Name: (2R)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-carbamoyl-2-phenyl-acetamide Formula: C20H25N4O4S+ MolecularWeight: 417.5019

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C(=O)NC(=O)N)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CC=CC=C2)C(=O)NC(=O)N)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N4O4S/c21-20(26)22-19(25)18(17-9-5-2-6-10-17)23-11-13-24(14-12-23)29(27,28)15-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H3,21,22,25,26)/p+1/t18-/m1/s1