1-(3-methylsulfonylphenyl)carbonyl-1-(2-oxidanylpropylamino)guanidine hydrochloride

Systemtic Name: 1-(3-methylsulfonylphenyl)carbonyl-1-(2-oxidanylpropylamino)guanidine hydrochloride Openeye Name: 1-(2-hydroxypropylamino)-1-(3-methylsulfonylbenzoyl)guanidine hydrochloride CAS Name: 1-(2-hydroxypropylamino)-1-[(3-methylsulfonylphenyl)-oxomethyl]guanidine hydrochloride IUPAC Name: 1-(2-hydroxypropylamino)-1-(3-methylsulfonylbenzoyl)guanidine hydrochloride Traditional Name: 1-(2-hydroxypropylamino)-1-(3-mesylbenzoyl)guanidine hydrochloride Formula: C12H19ClN4O4S MolecularWeight: 350.82166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O4S.ClH/c1-8(17)7-15-16(12(13)14)11(18)9-4-3-5-10(6-9)21(2,19)20;/h3-6,8,15,17H,7H2,1-2H3,(H3,13,14);1H