ethyl 4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(3-chlorophenyl)methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(3-chlorobenzyl)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)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H23ClN2O4S/c1-2-27-20(24)17-6-8-19(9-7-17)28(25,26)23-12-10-22(11-13-23)15-16-4-3-5-18(21)14-16/h3-9,14H,2,10-13,15H2,1H3