2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl 4-chloranylbenzoate

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl 4-chloranylbenzoate Openeye Name: 2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid 2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 2-(4-tosylpiperazino)ethyl ester Formula: C20H23ClN2O4S MolecularWeight: 422.92562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O4S/c1-16-2-8-19(9-3-16)28(25,26)23-12-10-22(11-13-23)14-15-27-20(24)17-4-6-18(21)7-5-17/h2-9H,10-15H2,1H3