phenyl 3-[[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]methyl]-2-sulfamoyl-cyclohexene-1-carboxylate

Systemtic Name: phenyl 3-[[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]methyl]-2-sulfamoyl-cyclohexene-1-carboxylate Openeye Name: phenyl 3-[[bis(tert-butoxycarbonylamino)methyleneamino]methyl]-2-sulfamoyl-cyclohexene-1-carboxylate CAS Name: 3-[[bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylideneamino]methyl]-2-sulfamoyl-1-cyclohexenecarboxylic acid phenyl ester IUPAC Name: phenyl 3-[[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]methyl]-2-sulfamoylcyclohexene-1-carboxylate Traditional Name: 3-[[bis(tert-butoxycarbonylamino)methyleneamino]methyl]-2-sulfamoyl-cyclohexene-1-carboxylic acid phenyl ester Formula: C25H36N4O8S MolecularWeight: 552.64034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=NCC1CCCC(=C1S(=O)(=O)N)C(=O)OC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NC(=NCC1CCCC(=C1S(=O)(=O)N)C(=O)OC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C25H36N4O8S/c1-24(2,3)36-22(31)28-21(29-23(32)37-25(4,5)6)27-15-16-11-10-14-18(19(16)38(26,33)34)20(30)35-17-12-8-7-9-13-17/h7-9,12-13,16H,10-11,14-15H2,1-6H3,(H2,26,33,34)(H2,27,28,29,31,32)