2-[4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazin-1-yl]phenol

Systemtic Name: 2-[4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazin-1-yl]phenol Openeye Name: 2-[4-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperazin-1-yl]phenol CAS Name: 2-[4-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-1-piperazinyl]phenol IUPAC Name: 2-[4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazin-1-yl]phenol Traditional Name: 2-[4-(2-nitro-4-piperidinosulfonyl-phenyl)piperazino]phenol Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4O)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5S/c26-21-7-3-2-6-19(21)23-14-12-22(13-15-23)18-9-8-17(16-20(18)25(27)28)31(29,30)24-10-4-1-5-11-24/h2-3,6-9,16,26H,1,4-5,10-15H2