2-[4-(3-methylsulfonylphenyl)carbonylhexylamino]guanidine

Systemtic Name: 2-[4-(3-methylsulfonylphenyl)carbonylhexylamino]guanidine Openeye Name: 2-[4-(3-methylsulfonylbenzoyl)hexylamino]guanidine CAS Name: 2-[4-[(3-methylsulfonylphenyl)-oxomethyl]hexylamino]guanidine IUPAC Name: 2-[4-(3-methylsulfonylbenzoyl)hexylamino]guanidine Traditional Name: 2-[4-(3-mesylbenzoyl)hexylamino]guanidine Formula: C15H24N4O3S MolecularWeight: 340.44106

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCNN=C(N)N)C(=O)C1=CC(=CC=C1)S(=O)(=O)C

Isomeric SMILES

CCC(CCCNN=C(N)N)C(=O)C1=CC(=CC=C1)S(=O)(=O)C

InChI

InChI=1S/C15H24N4O3S/c1-3-11(7-5-9-18-19-15(16)17)14(20)12-6-4-8-13(10-12)23(2,21)22/h4,6,8,10-11,18H,3,5,7,9H2,1-2H3,(H4,16,17,19)