N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-4-methylsulfanyl-benzamide

Systemtic Name: N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-4-methylsulfanyl-benzamide Openeye Name: N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-4-methylsulfanyl-benzamide CAS Name: N-[5-(diethylsulfamoyl)-2-(1-pyrrolidinyl)phenyl]-4-(methylthio)benzamide IUPAC Name: N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-4-methylsulfanylbenzamide Traditional Name: N-[5-(diethylsulfamoyl)-2-pyrrolidino-phenyl]-4-(methylthio)benzamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H29N3O3S2/c1-4-25(5-2)30(27,28)19-12-13-21(24-14-6-7-15-24)20(16-19)23-22(26)17-8-10-18(29-3)11-9-17/h8-13,16H,4-7,14-15H2,1-3H3,(H,23,26)