1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(3-nitrophenoxy)propan-2-ol

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(3-nitrophenoxy)propan-2-ol Openeye Name: 1-(3-nitrophenoxy)-3-[4-(p-tolylsulfonyl)piperazin-1-yl]propan-2-ol CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-(3-nitrophenoxy)-2-propanol IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(3-nitrophenoxy)propan-2-ol Traditional Name: 1-(3-nitrophenoxy)-3-(4-tosylpiperazino)propan-2-ol Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(COC3=CC=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(COC3=CC=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C20H25N3O6S/c1-16-5-7-20(8-6-16)30(27,28)22-11-9-21(10-12-22)14-18(24)15-29-19-4-2-3-17(13-19)23(25)26/h2-8,13,18,24H,9-12,14-15H2,1H3