[4-[[4-bromanyl-2-[1-oxidanyl-2-(4-oxidanylpiperidin-1-yl)ethyl]phenoxy]methyl]phenyl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [4-[[4-bromanyl-2-[1-oxidanyl-2-(4-oxidanylpiperidin-1-yl)ethyl]phenoxy]methyl]phenyl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [4-[[4-bromo-2-[1-hydroxy-2-(4-hydroxy-1-piperidyl)ethyl]phenoxy]methyl]phenyl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [4-[[4-bromo-2-[1-hydroxy-2-(4-hydroxy-1-piperidinyl)ethyl]phenoxy]methyl]phenyl]-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [4-[[4-bromo-2-[1-hydroxy-2-(4-hydroxypiperidin-1-yl)ethyl]phenoxy]methyl]phenyl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [4-[[4-bromo-2-[1-hydroxy-2-(4-hydroxypiperidino)ethyl]phenoxy]methyl]phenyl]-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C31H35BrN4O8S MolecularWeight: 703.6006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)CC(C2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-])O

Isomeric SMILES

C1CN(CCC1O)CC(C2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-])O

InChI

InChI=1S/C31H35BrN4O8S/c32-24-8-9-30(28(18-24)29(38)20-33-12-10-26(37)11-13-33)44-21-22-4-6-23(7-5-22)31(39)34-14-16-35(17-15-34)45(42,43)27-3-1-2-25(19-27)36(40)41/h1-9,18-19,26,29,37-38H,10-17,20-21H2