1-(2-nitrophenyl)sulfonyl-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2-nitrophenyl)sulfonyl-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2-nitrophenyl)sulfonyl-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(2-nitrophenyl)sulfonyl-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2-nitrophenyl)sulfonyl-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2-nitrophenyl)sulfonyl-4-(3-phenoxybenzyl)piperazin-4-ium Formula: C23H24N3O5S+ MolecularWeight: 454.51876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O5S/c27-26(28)22-11-4-5-12-23(22)32(29,30)25-15-13-24(14-16-25)18-19-7-6-10-21(17-19)31-20-8-2-1-3-9-20/h1-12,17H,13-16,18H2/p+1