phenyl 2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]ethanesulfonate CAS Name: 2-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]ethanesulfonate Traditional Name: 2-[4-(4-chloro-2-nitro-phenyl)piperazino]ethanesulfonic acid phenyl ester Formula: C18H20ClN3O5S MolecularWeight: 425.8865

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCS(=O)(=O)OC2=CC=CC=C2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCS(=O)(=O)OC2=CC=CC=C2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN3O5S/c19-15-6-7-17(18(14-15)22(23)24)21-10-8-20(9-11-21)12-13-28(25,26)27-16-4-2-1-3-5-16/h1-7,14H,8-13H2