1-(diethylamino)-1-(3-methylsulfonylphenyl)carbonyl-guanidine hydrochloride

Systemtic Name: 1-(diethylamino)-1-(3-methylsulfonylphenyl)carbonyl-guanidine hydrochloride Openeye Name: 1-(diethylamino)-1-(3-methylsulfonylbenzoyl)guanidine hydrochloride CAS Name: 1-(diethylamino)-1-[(3-methylsulfonylphenyl)-oxomethyl]guanidine hydrochloride IUPAC Name: 1-(diethylamino)-1-(3-methylsulfonylbenzoyl)guanidine hydrochloride Traditional Name: 1-(diethylamino)-1-(3-mesylbenzoyl)guanidine hydrochloride Formula: C13H21ClN4O3S MolecularWeight: 348.84884

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)N(C(=O)C1=CC(=CC=C1)S(=O)(=O)C)C(=N)N.Cl

Isomeric SMILES

CCN(CC)N(C(=O)C1=CC(=CC=C1)S(=O)(=O)C)C(=N)N.Cl

InChI

InChI=1S/C13H20N4O3S.ClH/c1-4-16(5-2)17(13(14)15)12(18)10-7-6-8-11(9-10)21(3,19)20;/h6-9H,4-5H2,1-3H3,(H3,14,15);1H