N-methyl-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]-N-[(2S)-4-methylsulfanyl-1-oxidanyl-butan-2-yl]benzenesulfonamide

Systemtic Name: N-methyl-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]-N-[(2S)-4-methylsulfanyl-1-oxidanyl-butan-2-yl]benzenesulfonamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-3-methylsulfanyl-propyl]-N-methyl-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzenesulfonamide CAS Name: N-[(2S)-1-hydroxy-4-(methylthio)butan-2-yl]-N-methyl-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzenesulfonamide IUPAC Name: N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-N-methyl-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzenesulfonamide Traditional Name: N-methyl-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]-N-[(1S)-1-methylol-3-(methylthio)propyl]benzenesulfonamide Formula: C20H26N4O3S2 MolecularWeight: 434.57544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C=CN=C2CC3=CC=C(C=C3)S(=O)(=O)N(C)C(CCSC)CO

Isomeric SMILES

CC1=NC2=C(N1)C=CN=C2CC3=CC=C(C=C3)S(=O)(=O)N(C)[C@@H](CCSC)CO

InChI

InChI=1S/C20H26N4O3S2/c1-14-22-18-8-10-21-19(20(18)23-14)12-15-4-6-17(7-5-15)29(26,27)24(2)16(13-25)9-11-28-3/h4-8,10,16,25H,9,11-13H2,1-3H3,(H,22,23)/t16-/m0/s1