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

Systemtic Name: (2S)-N-cyclopropyl-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2S)-N-cyclopropyl-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2S)-N-cyclopropyl-2-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2S)-N-cyclopropyl-2-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2S)-N-cyclopropyl-2-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C22H27N4O6S+ MolecularWeight: 475.53798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C(=O)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@@H](C3=CC=CC=C3)C(=O)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O6S/c1-32-20-10-9-18(15-19(20)26(28)29)33(30,31)25-13-11-24(12-14-25)21(16-5-3-2-4-6-16)22(27)23-17-7-8-17/h2-6,9-10,15,17,21H,7-8,11-14H2,1H3,(H,23,27)/p+1/t21-/m0/s1