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

Systemtic Name: 1-(3-methylsulfonylphenyl)carbonyl-1-(3-phenylpropylamino)guanidine Openeye Name: 1-(3-methylsulfonylbenzoyl)-1-(3-phenylpropylamino)guanidine CAS Name: 1-[(3-methylsulfonylphenyl)-oxomethyl]-1-(3-phenylpropylamino)guanidine IUPAC Name: 1-(3-methylsulfonylbenzoyl)-1-(3-phenylpropylamino)guanidine Traditional Name: 1-(3-mesylbenzoyl)-1-(3-phenylpropylamino)guanidine Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N(C(=N)N)NCCCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N(C(=N)N)NCCCC2=CC=CC=C2

InChI

InChI=1S/C18H22N4O3S/c1-26(24,25)16-11-5-10-15(13-16)17(23)22(18(19)20)21-12-6-9-14-7-3-2-4-8-14/h2-5,7-8,10-11,13,21H,6,9,12H2,1H3,(H3,19,20)