N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-methylsulfonyl-benzenesulfonamide

Systemtic Name: N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-methylsulfonyl-benzenesulfonamide Openeye Name: N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-methylsulfonyl-benzenesulfonamide CAS Name: N-[4-[(1-methyl-2-imidazolyl)thio]phenyl]-4-methylsulfonylbenzenesulfonamide IUPAC Name: N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-methylsulfonylbenzenesulfonamide Traditional Name: 4-mesyl-N-[4-[(1-methylimidazol-2-yl)thio]phenyl]benzenesulfonamide Formula: C17H17N3O4S3 MolecularWeight: 423.52958

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CN1C=CN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C17H17N3O4S3/c1-20-12-11-18-17(20)25-14-5-3-13(4-6-14)19-27(23,24)16-9-7-15(8-10-16)26(2,21)22/h3-12,19H,1-2H3