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

Systemtic Name: 1-(diethylamino)-1-(3-methylsulfonylphenyl)carbonyl-guanidine Openeye Name: 1-(diethylamino)-1-(3-methylsulfonylbenzoyl)guanidine CAS Name: 1-(diethylamino)-1-[(3-methylsulfonylphenyl)-oxomethyl]guanidine IUPAC Name: 1-(diethylamino)-1-(3-methylsulfonylbenzoyl)guanidine Traditional Name: 1-(diethylamino)-1-(3-mesylbenzoyl)guanidine Formula: C13H20N4O3S MolecularWeight: 312.3879

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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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O3S/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)