4-(3-methyl-4-methylsulfanyl-phenoxy)-3-[[[(2S)-2-oxidanylpropyl]amino]methyl]benzenesulfonamide

Systemtic Name: 4-(3-methyl-4-methylsulfanyl-phenoxy)-3-[[[(2S)-2-oxidanylpropyl]amino]methyl]benzenesulfonamide Openeye Name: 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenesulfonamide CAS Name: 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-4-[3-methyl-4-(methylthio)phenoxy]benzenesulfonamide IUPAC Name: 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide Traditional Name: 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-4-[3-methyl-4-(methylthio)phenoxy]benzenesulfonamide Formula: C18H24N2O4S2 MolecularWeight: 396.52416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N)CNCC(C)O)SC

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N)CNC[C@H](C)O)SC

InChI

InChI=1S/C18H24N2O4S2/c1-12-8-15(4-7-18(12)25-3)24-17-6-5-16(26(19,22)23)9-14(17)11-20-10-13(2)21/h4-9,13,20-21H,10-11H2,1-3H3,(H2,19,22,23)/t13-/m0/s1