cyclohexylsulfamic acid; 4-(dimethylamino)-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: cyclohexylsulfamic acid; 4-(dimethylamino)-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: cyclohexylsulfamic acid; 4-(dimethylamino)-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: cyclohexylsulfamic acid; 4-(dimethylamino)-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: cyclohexylsulfamic acid; 4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: cyclohexylsulfamic acid; 4-(dimethylamino)-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C19H30N4O4S MolecularWeight: 410.5309

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C.C1CCC(CC1)NS(=O)(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C.C1CCC(CC1)NS(=O)(=O)O

InChI

InChI=1S/C13H17N3O.C6H13NO3S/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11;8-11(9,10)7-6-4-2-1-3-5-6/h5-9H,1-4H3;6-7H,1-5H2,(H,8,9,10)