[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C20H22ClN3O6S MolecularWeight: 467.92318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)Cl)N

InChI

InChI=1S/C20H22ClN3O6S/c1-29-18-12-17(22)16(21)11-15(18)20(26)30-13-19(25)23-7-9-24(10-8-23)31(27,28)14-5-3-2-4-6-14/h2-6,11-12H,7-10,13,22H2,1H3