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

Systemtic Name: (2R)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-methylphenyl)propanamide Openeye Name: (2R)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(p-tolyl)propanamide CAS Name: (2R)-2-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(4-methylphenyl)propanamide IUPAC Name: (2R)-2-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-methylphenyl)propanamide Traditional Name: (2R)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(p-tolyl)propionamide Formula: C21H27N4O6S+ MolecularWeight: 463.52728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O6S/c1-15-4-6-17(7-5-15)22-21(26)16(2)23-10-12-24(13-11-23)32(29,30)18-8-9-20(31-3)19(14-18)25(27)28/h4-9,14,16H,10-13H2,1-3H3,(H,22,26)/p+1/t16-/m1/s1