3-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenesulfonamide

Systemtic Name: 3-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenesulfonamide Openeye Name: 3-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenesulfonamide CAS Name: 3-[[(3S)-3-(dimethylamino)-1-pyrrolidinyl]methyl]-4-[3-methyl-4-(methylthio)phenoxy]benzenesulfonamide IUPAC Name: 3-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide Traditional Name: 3-[[(3S)-3-(dimethylamino)pyrrolidino]methyl]-4-[3-methyl-4-(methylthio)phenoxy]benzenesulfonamide Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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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)CN3CCC(C3)N(C)C)SC

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N)CN3CC[C@@H](C3)N(C)C)SC

InChI

InChI=1S/C21H29N3O3S2/c1-15-11-18(5-8-21(15)28-4)27-20-7-6-19(29(22,25)26)12-16(20)13-24-10-9-17(14-24)23(2)3/h5-8,11-12,17H,9-10,13-14H2,1-4H3,(H2,22,25,26)/t17-/m0/s1