[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-[4-[(5-chloro-2-thienyl)methyl]piperazino]-2-keto-ethyl] ester Formula: C19H20Cl2N2O5S2 MolecularWeight: 491.4085

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)N2CCN(CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)N2CCN(CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C19H20Cl2N2O5S2/c1-30(26,27)14-3-4-16(20)15(10-14)19(25)28-12-18(24)23-8-6-22(7-9-23)11-13-2-5-17(21)29-13/h2-5,10H,6-9,11-12H2,1H3