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

Systemtic Name: 4-[4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazin-1-yl]phenol Openeye Name: 4-[4-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperazin-1-yl]phenol CAS Name: 4-[4-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-1-piperazinyl]phenol IUPAC Name: 4-[4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazin-1-yl]phenol Traditional Name: 4-[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=C(C=C4)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5S/c26-18-6-4-17(5-7-18)22-12-14-23(15-13-22)20-9-8-19(16-21(20)25(27)28)31(29,30)24-10-2-1-3-11-24/h4-9,16,26H,1-3,10-15H2