methyl 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-5-nitro-benzoate

Systemtic Name: methyl 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-5-nitro-benzoate CAS Name: 2-[4-[cyclohexyl(methyl)sulfamoyl]-1-piperazinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazino]-5-nitro-benzoic acid methyl ester Formula: C19H28N4O6S MolecularWeight: 440.51382

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN(C1CCCCC1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H28N4O6S/c1-20(15-6-4-3-5-7-15)30(27,28)22-12-10-21(11-13-22)18-9-8-16(23(25)26)14-17(18)19(24)29-2/h8-9,14-15H,3-7,10-13H2,1-2H3