methyl 1-[[4-(diethylsulfamoyl)-1-methyl-pyrrol-2-yl]carbonylamino]cycloheptane-1-carboxylate

Systemtic Name: methyl 1-[[4-(diethylsulfamoyl)-1-methyl-pyrrol-2-yl]carbonylamino]cycloheptane-1-carboxylate Openeye Name: methyl 1-[[4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carbonyl]amino]cycloheptanecarboxylate CAS Name: 1-[[[4-(diethylsulfamoyl)-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]cycloheptane-1-carboxylate Traditional Name: 1-[[4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carbonyl]amino]cycloheptanecarboxylic acid methyl ester Formula: C19H31N3O5S MolecularWeight: 413.53154

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN(C(=C1)C(=O)NC2(CCCCCC2)C(=O)OC)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN(C(=C1)C(=O)NC2(CCCCCC2)C(=O)OC)C

InChI

InChI=1S/C19H31N3O5S/c1-5-22(6-2)28(25,26)15-13-16(21(3)14-15)17(23)20-19(18(24)27-4)11-9-7-8-10-12-19/h13-14H,5-12H2,1-4H3,(H,20,23)