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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3O)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O5S/c1-26(24,25)13-6-7-14(16(12-13)20(22)23)18-8-10-19(11-9-18)15-4-2-3-5-17(15)21/h2-7,12,21H,8-11H2,1H3