2-[[4-(dimethylsulfamoyl)phenyl]-methylsulfonyl-amino]-N-[3-(phenylmethylsulfanyl)propyl]ethanamide

Systemtic Name: 2-[[4-(dimethylsulfamoyl)phenyl]-methylsulfonyl-amino]-N-[3-(phenylmethylsulfanyl)propyl]ethanamide Openeye Name: N-(3-benzylsulfanylpropyl)-2-[4-(dimethylsulfamoyl)-N-methylsulfonyl-anilino]acetamide CAS Name: 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[3-(phenylmethylthio)propyl]acetamide IUPAC Name: N-(3-benzylsulfanylpropyl)-2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetamide Traditional Name: N-[3-(benzylthio)propyl]-2-[4-(dimethylsulfamoyl)-N-mesyl-anilino]acetamide Formula: C21H29N3O5S3 MolecularWeight: 499.66706

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)N(CC(=O)NCCCSCC2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)N(CC(=O)NCCCSCC2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C21H29N3O5S3/c1-23(2)32(28,29)20-12-10-19(11-13-20)24(31(3,26)27)16-21(25)22-14-7-15-30-17-18-8-5-4-6-9-18/h4-6,8-13H,7,14-17H2,1-3H3,(H,22,25)