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

Systemtic Name: (2R)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-(3-nitrophenoxy)propan-2-ol Openeye Name: (2R)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-(3-nitrophenoxy)propan-2-ol CAS Name: (2R)-1-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-3-(3-nitrophenoxy)-2-propanol IUPAC Name: (2R)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-(3-nitrophenoxy)propan-2-ol Traditional Name: (2R)-1-(3-nitrophenoxy)-3-(4-p-phenetylsulfonylpiperazino)propan-2-ol Formula: C21H27N3O7S MolecularWeight: 465.51998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(COC3=CC=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C[C@H](COC3=CC=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H27N3O7S/c1-2-30-19-6-8-21(9-7-19)32(28,29)23-12-10-22(11-13-23)15-18(25)16-31-20-5-3-4-17(14-20)24(26)27/h3-9,14,18,25H,2,10-13,15-16H2,1H3/t18-/m1/s1