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

Systemtic Name: 2-[2-[2-(1H-imidazol-2-yl)-1-oxidanyl-ethyl]-4-(3-methylsulfonylphenyl)carbonyl-phenoxy]guanidine Openeye Name: 2-[2-[1-hydroxy-2-(1H-imidazol-2-yl)ethyl]-4-(3-methylsulfonylbenzoyl)phenoxy]guanidine CAS Name: 2-[2-[1-hydroxy-2-(1H-imidazol-2-yl)ethyl]-4-[(3-methylsulfonylphenyl)-oxomethyl]phenoxy]guanidine IUPAC Name: 2-[2-[1-hydroxy-2-(1H-imidazol-2-yl)ethyl]-4-(3-methylsulfonylbenzoyl)phenoxy]guanidine Traditional Name: 2-[2-[1-hydroxy-2-(1H-imidazol-2-yl)ethyl]-4-(3-mesylbenzoyl)phenoxy]guanidine Formula: C20H21N5O5S MolecularWeight: 443.47624

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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)C(CC3=NC=CN3)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)C2=CC(=C(C=C2)ON=C(N)N)C(CC3=NC=CN3)O

InChI

InChI=1S/C20H21N5O5S/c1-31(28,29)14-4-2-3-12(9-14)19(27)13-5-6-17(30-25-20(21)22)15(10-13)16(26)11-18-23-7-8-24-18/h2-10,16,26H,11H2,1H3,(H,23,24)(H4,21,22,25)