ethyl 4-[4-(3-methylphenyl)carbonylpiperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(3-methylphenyl)carbonylpiperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(3-methylbenzoyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(3-methylphenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-methylbenzoyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-(4-m-toluoylpiperazino)sulfonylbenzoic acid ethyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-3-28-21(25)17-7-9-19(10-8-17)29(26,27)23-13-11-22(12-14-23)20(24)18-6-4-5-16(2)15-18/h4-10,15H,3,11-14H2,1-2H3