1-(5-methyl-2-propan-2-yl-phenoxy)-3-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propan-2-ol

Systemtic Name: 1-(5-methyl-2-propan-2-yl-phenoxy)-3-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propan-2-ol Openeye Name: 1-(2-isopropyl-5-methyl-phenoxy)-3-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propan-2-ol CAS Name: 1-(5-methyl-2-propan-2-ylphenoxy)-3-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-2-propanol IUPAC Name: 1-(5-methyl-2-propan-2-ylphenoxy)-3-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propan-2-ol Traditional Name: 1-(2-isopropyl-5-methyl-phenoxy)-3-[4-(2-nitrophenyl)sulfonylpiperazino]propan-2-ol Formula: C23H31N3O6S MolecularWeight: 477.57374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])O

InChI

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