4-[[(2R)-4-(dimethylamino)-1-phenylsulfanyl-butan-2-yl]amino]-3-methylsulfonyl-benzenesulfonamide

Systemtic Name: 4-[[(2R)-4-(dimethylamino)-1-phenylsulfanyl-butan-2-yl]amino]-3-methylsulfonyl-benzenesulfonamide Openeye Name: 4-[[(1R)-3-(dimethylamino)-1-(phenylsulfanylmethyl)propyl]amino]-3-methylsulfonyl-benzenesulfonamide CAS Name: 4-[[(2R)-4-(dimethylamino)-1-(phenylthio)butan-2-yl]amino]-3-methylsulfonylbenzenesulfonamide IUPAC Name: 4-[[(2R)-4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-methylsulfonylbenzenesulfonamide Traditional Name: 4-[[(1R)-3-(dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-3-mesyl-benzenesulfonamide Formula: C19H27N3O4S3 MolecularWeight: 457.63038

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)N)S(=O)(=O)C

Isomeric SMILES

CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)N)S(=O)(=O)C

InChI

InChI=1S/C19H27N3O4S3/c1-22(2)12-11-15(14-27-16-7-5-4-6-8-16)21-18-10-9-17(29(20,25)26)13-19(18)28(3,23)24/h4-10,13,15,21H,11-12,14H2,1-3H3,(H2,20,25,26)/t15-/m1/s1