methyl 4-methyl-3-[4-(phenylcarbonyl)piperazin-1-yl]sulfonyl-benzoate

Systemtic Name: methyl 4-methyl-3-[4-(phenylcarbonyl)piperazin-1-yl]sulfonyl-benzoate Openeye Name: methyl 3-(4-benzoylpiperazin-1-yl)sulfonyl-4-methyl-benzoate CAS Name: 3-[(4-benzoyl-1-piperazinyl)sulfonyl]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-(4-benzoylpiperazin-1-yl)sulfonyl-4-methylbenzoate Traditional Name: 3-(4-benzoylpiperazino)sulfonyl-4-methyl-benzoic acid methyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O5S/c1-15-8-9-17(20(24)27-2)14-18(15)28(25,26)22-12-10-21(11-13-22)19(23)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3