phenyl 2-chloranyl-4-(4-methylpiperazin-1-yl)-3-nitro-benzenesulfonate

Systemtic Name: phenyl 2-chloranyl-4-(4-methylpiperazin-1-yl)-3-nitro-benzenesulfonate Openeye Name: phenyl 2-chloro-4-(4-methylpiperazin-1-yl)-3-nitro-benzenesulfonate CAS Name: 2-chloro-4-(4-methyl-1-piperazinyl)-3-nitrobenzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-chloro-4-(4-methylpiperazin-1-yl)-3-nitrobenzenesulfonate Traditional Name: 2-chloro-4-(4-methylpiperazino)-3-nitro-benzenesulfonic acid phenyl ester Formula: C17H18ClN3O5S MolecularWeight: 411.85992

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=C(C=C2)S(=O)(=O)OC3=CC=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=C(C=C2)S(=O)(=O)OC3=CC=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H18ClN3O5S/c1-19-9-11-20(12-10-19)14-7-8-15(16(18)17(14)21(22)23)27(24,25)26-13-5-3-2-4-6-13/h2-8H,9-12H2,1H3