1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(3-benzyloxy-4-methoxy-phenyl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(3-benzoxy-4-methoxy-benzyl)-4-nosyl-piperazin-1-ium Formula: C25H28N3O6S+ MolecularWeight: 498.57132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O6S/c1-33-24-12-7-21(17-25(24)34-19-20-5-3-2-4-6-20)18-26-13-15-27(16-14-26)35(31,32)23-10-8-22(9-11-23)28(29)30/h2-12,17H,13-16,18-19H2,1H3/p+1