ethyl 4-[2-[3-(3-azanyloxypropoxy)-5-methyl-phenoxy]sulfonylphenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[3-(3-azanyloxypropoxy)-5-methyl-phenoxy]sulfonylphenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[3-(3-aminooxypropoxy)-5-methyl-phenoxy]sulfonylphenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[2-[3-(3-aminooxypropoxy)-5-methylphenoxy]sulfonylphenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-(3-aminooxypropoxy)-5-methylphenoxy]sulfonylphenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[2-[3-(3-aminooxypropoxy)-5-methyl-phenoxy]sulfonylphenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C23H31N3O9S2 MolecularWeight: 557.63694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2S(=O)(=O)OC3=CC(=CC(=C3)OCCCON)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2S(=O)(=O)OC3=CC(=CC(=C3)OCCCON)C

InChI

InChI=1S/C23H31N3O9S2/c1-3-32-23(27)25-9-11-26(12-10-25)36(28,29)21-7-4-5-8-22(21)37(30,31)35-20-16-18(2)15-19(17-20)33-13-6-14-34-24/h4-5,7-8,15-17H,3,6,9-14,24H2,1-2H3