2-chloranyl-4-(4-methylpiperazin-1-yl)-3-nitro-benzenesulfonic acid

Systemtic Name: 2-chloranyl-4-(4-methylpiperazin-1-yl)-3-nitro-benzenesulfonic acid Openeye Name: 2-chloro-4-(4-methylpiperazin-1-yl)-3-nitro-benzenesulfonic acid CAS Name: 2-chloro-4-(4-methyl-1-piperazinyl)-3-nitrobenzenesulfonic acid IUPAC Name: 2-chloro-4-(4-methylpiperazin-1-yl)-3-nitrobenzenesulfonic acid Traditional Name: 2-chloro-4-(4-methylpiperazino)-3-nitro-besylic acid Formula: C11H14ClN3O5S MolecularWeight: 335.76396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14ClN3O5S/c1-13-4-6-14(7-5-13)8-2-3-9(21(18,19)20)10(12)11(8)15(16)17/h2-3H,4-7H2,1H3,(H,18,19,20)