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

Systemtic Name: 1-(3-methylsulfonylphenyl)carbonyl-1-(2-oxidanylpropylamino)guanidine Openeye Name: 1-(2-hydroxypropylamino)-1-(3-methylsulfonylbenzoyl)guanidine CAS Name: 1-(2-hydroxypropylamino)-1-[(3-methylsulfonylphenyl)-oxomethyl]guanidine IUPAC Name: 1-(2-hydroxypropylamino)-1-(3-methylsulfonylbenzoyl)guanidine Traditional Name: 1-(2-hydroxypropylamino)-1-(3-mesylbenzoyl)guanidine Formula: C12H18N4O4S MolecularWeight: 314.36072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O4S/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)