phenyl 2-(3-chloranylpiperazin-1-yl)-5-methoxy-benzenesulfonate

Systemtic Name: phenyl 2-(3-chloranylpiperazin-1-yl)-5-methoxy-benzenesulfonate Openeye Name: phenyl 2-(3-chloropiperazin-1-yl)-5-methoxy-benzenesulfonate CAS Name: 2-(3-chloro-1-piperazinyl)-5-methoxybenzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-(3-chloropiperazin-1-yl)-5-methoxybenzenesulfonate Traditional Name: 2-(3-chloropiperazino)-5-methoxy-benzenesulfonic acid phenyl ester Formula: C17H19ClN2O4S MolecularWeight: 382.86176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCNC(C2)Cl)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCNC(C2)Cl)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C17H19ClN2O4S/c1-23-14-7-8-15(20-10-9-19-17(18)12-20)16(11-14)25(21,22)24-13-5-3-2-4-6-13/h2-8,11,17,19H,9-10,12H2,1H3