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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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