ethyl 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C20H23ClN2O4S MolecularWeight: 422.92562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O4S/c1-3-27-20(24)16-5-8-18(9-6-16)28(25,26)23-12-10-22(11-13-23)19-14-17(21)7-4-15(19)2/h4-9,14H,3,10-13H2,1-2H3