2-(2,5-dimethylphenoxy)ethyl 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: 2-(2,5-dimethylphenoxy)ethyl 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: 2-(2,5-dimethylphenoxy)ethyl 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid 2-(2,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(2,5-dimethylphenoxy)ethyl 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid 2-(2,5-dimethylphenoxy)ethyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCOC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCOC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C23H28N2O6S/c1-17-7-8-18(2)22(15-17)30-13-14-31-23(27)20-5-4-6-21(16-20)32(28,29)25-11-9-24(10-12-25)19(3)26/h4-8,15-16H,9-14H2,1-3H3