4-[4-[(2-nitrophenyl)methylsulfonyl]piperazin-1-yl]phenol

Systemtic Name: 4-[4-[(2-nitrophenyl)methylsulfonyl]piperazin-1-yl]phenol Openeye Name: 4-[4-[(2-nitrophenyl)methylsulfonyl]piperazin-1-yl]phenol CAS Name: 4-[4-[(2-nitrophenyl)methylsulfonyl]-1-piperazinyl]phenol IUPAC Name: 4-[4-[(2-nitrophenyl)methylsulfonyl]piperazin-1-yl]phenol Traditional Name: 4-[4-(2-nitrobenzyl)sulfonylpiperazino]phenol Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)O)S(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)O)S(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O5S/c21-16-7-5-15(6-8-16)18-9-11-19(12-10-18)26(24,25)13-14-3-1-2-4-17(14)20(22)23/h1-8,21H,9-13H2