ethyl 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(2,3-dimethylphenyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3C)C

InChI

InChI=1S/C21H26N2O4S/c1-4-27-21(24)18-8-10-19(11-9-18)28(25,26)23-14-12-22(13-15-23)20-7-5-6-16(2)17(20)3/h5-11H,4,12-15H2,1-3H3