ethyl 4-[4-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[2-hydroxy-3-(3-nitrophenoxy)propyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[2-hydroxy-3-(3-nitrophenoxy)propyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-hydroxy-3-(3-nitrophenoxy)propyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-hydroxy-3-(3-nitrophenoxy)propyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C22H27N3O8S MolecularWeight: 493.53008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O8S/c1-2-32-22(27)17-6-8-21(9-7-17)34(30,31)24-12-10-23(11-13-24)15-19(26)16-33-20-5-3-4-18(14-20)25(28)29/h3-9,14,19,26H,2,10-13,15-16H2,1H3