[4-nitro-5-(propan-2-ylamino)pyrazol-1-yl] 4-bromanylbutane-1-sulfonate

Systemtic Name: [4-nitro-5-(propan-2-ylamino)pyrazol-1-yl] 4-bromanylbutane-1-sulfonate Openeye Name: [5-(isopropylamino)-4-nitro-pyrazol-1-yl] 4-bromobutane-1-sulfonate CAS Name: 4-bromo-1-butanesulfonic acid IUPAC Name: [4-nitro-5-(propan-2-ylamino)pyrazol-1-yl] 4-bromobutane-1-sulfonate Traditional Name: 4-bromobutane-1-sulfonic acid [5-(isopropylamino)-4-nitro-pyrazol-1-yl] ester Formula: C10H17BrN4O5S MolecularWeight: 385.23478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C=NN1OS(=O)(=O)CCCCBr)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=C(C=NN1OS(=O)(=O)CCCCBr)[N+](=O)[O-]

InChI

InChI=1S/C10H17BrN4O5S/c1-8(2)13-10-9(15(16)17)7-12-14(10)20-21(18,19)6-4-3-5-11/h7-8,13H,3-6H2,1-2H3