2-[2-[3-(1H-imidazol-2-yl)propylsulfamoyl]-4-(3-methylsulfonylphenyl)carbonyl-phenoxy]guanidine

Systemtic Name: 2-[2-[3-(1H-imidazol-2-yl)propylsulfamoyl]-4-(3-methylsulfonylphenyl)carbonyl-phenoxy]guanidine Openeye Name: 2-[2-[3-(1H-imidazol-2-yl)propylsulfamoyl]-4-(3-methylsulfonylbenzoyl)phenoxy]guanidine CAS Name: 2-[2-[3-(1H-imidazol-2-yl)propylsulfamoyl]-4-[(3-methylsulfonylphenyl)-oxomethyl]phenoxy]guanidine IUPAC Name: 2-[2-[3-(1H-imidazol-2-yl)propylsulfamoyl]-4-(3-methylsulfonylbenzoyl)phenoxy]guanidine Traditional Name: 2-[2-[3-(1H-imidazol-2-yl)propylsulfamoyl]-4-(3-mesylbenzoyl)phenoxy]guanidine Formula: C21H24N6O6S2 MolecularWeight: 520.58186

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)C2=CC(=C(C=C2)ON=C(N)N)S(=O)(=O)NCCCC3=NC=CN3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)C2=CC(=C(C=C2)ON=C(N)N)S(=O)(=O)NCCCC3=NC=CN3

InChI

InChI=1S/C21H24N6O6S2/c1-34(29,30)16-5-2-4-14(12-16)20(28)15-7-8-17(33-27-21(22)23)18(13-15)35(31,32)26-9-3-6-19-24-10-11-25-19/h2,4-5,7-8,10-13,26H,3,6,9H2,1H3,(H,24,25)(H4,22,23,27)