1-(2-tert-butylphenoxy)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-2-ol

Systemtic Name: 1-(2-tert-butylphenoxy)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-2-ol Openeye Name: 1-(2-tert-butylphenoxy)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-2-ol CAS Name: 1-(2-tert-butylphenoxy)-3-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-2-propanol IUPAC Name: 1-(2-tert-butylphenoxy)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-2-ol Traditional Name: 1-(2-tert-butylphenoxy)-3-[4-(3-nitrophenyl)sulfonylpiperazino]propan-2-ol Formula: C23H31N3O6S MolecularWeight: 477.57374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC(CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OCC(CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C23H31N3O6S/c1-23(2,3)21-9-4-5-10-22(21)32-17-19(27)16-24-11-13-25(14-12-24)33(30,31)20-8-6-7-18(15-20)26(28)29/h4-10,15,19,27H,11-14,16-17H2,1-3H3