1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(3-nitrophenoxy)propan-2-ol

Systemtic Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(3-nitrophenoxy)propan-2-ol Openeye Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(3-nitrophenoxy)propan-2-ol CAS Name: 1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-3-(3-nitrophenoxy)-2-propanol IUPAC Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(3-nitrophenoxy)propan-2-ol Traditional Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-3-(3-nitrophenoxy)propan-2-ol Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O6S/c1-16-6-7-17(2)21(12-16)31(28,29)23-10-8-22(9-11-23)14-19(25)15-30-20-5-3-4-18(13-20)24(26)27/h3-7,12-13,19,25H,8-11,14-15H2,1-2H3