4-bromanyl-2-[[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-bromanyl-2-[[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol Openeye Name: 4-bromo-2-[[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol CAS Name: 4-bromo-2-[[4-(4-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 4-bromo-2-[[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol Traditional Name: 4-bromo-2-[(4-nosylpiperazin-1-ium-1-yl)methyl]phenol Formula: C17H19BrN3O5S+ MolecularWeight: 457.31886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrN3O5S/c18-14-1-6-17(22)13(11-14)12-19-7-9-20(10-8-19)27(25,26)16-4-2-15(3-5-16)21(23)24/h1-6,11,22H,7-10,12H2/p+1