(2R)-N-(tert-butylcarbamoyl)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(tert-butylcarbamoyl)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(tert-butylcarbamoyl)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-[(tert-butylamino)-oxomethyl]-2-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(tert-butylcarbamoyl)-2-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(tert-butylcarbamoyl)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C19H30N5O7S+ MolecularWeight: 472.5358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H29N5O7S/c1-13(17(25)20-18(26)21-19(2,3)4)22-8-10-23(11-9-22)32(29,30)14-6-7-16(31-5)15(12-14)24(27)28/h6-7,12-13H,8-11H2,1-5H3,(H2,20,21,25,26)/p+1/t13-/m1/s1