ethyl 4-[4-(3,5-dimethylphenyl)carbonylpiperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(3,5-dimethylphenyl)carbonylpiperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(3,5-dimethylphenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(3,5-dimethylbenzoyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-4-29-22(26)18-5-7-20(8-6-18)30(27,28)24-11-9-23(10-12-24)21(25)19-14-16(2)13-17(3)15-19/h5-8,13-15H,4,9-12H2,1-3H3