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

Systemtic Name: (2S)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propanamide Openeye Name: (2S)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propanamide CAS Name: (2S)-2-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(4-methoxyphenyl)propanamide IUPAC Name: (2S)-2-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propanamide Traditional Name: (2S)-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propionamide Formula: C21H27N4O7S+ MolecularWeight: 479.52668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O7S/c1-15(21(26)22-16-4-6-17(31-2)7-5-16)23-10-12-24(13-11-23)33(29,30)18-8-9-20(32-3)19(14-18)25(27)28/h4-9,14-15H,10-13H2,1-3H3,(H,22,26)/p+1/t15-/m0/s1