N-(3,4-dichlorophenyl)-3-[[(2S,4S)-4-sulfanylpyrrolidin-2-yl]methylsulfamoyl]benzamide

Systemtic Name: N-(3,4-dichlorophenyl)-3-[[(2S,4S)-4-sulfanylpyrrolidin-2-yl]methylsulfamoyl]benzamide Openeye Name: N-(3,4-dichlorophenyl)-3-[[(2S,4S)-4-sulfanylpyrrolidin-2-yl]methylsulfamoyl]benzamide CAS Name: N-(3,4-dichlorophenyl)-3-[[(2S,4S)-4-mercapto-2-pyrrolidinyl]methylsulfamoyl]benzamide IUPAC Name: N-(3,4-dichlorophenyl)-3-[[(2S,4S)-4-sulfanylpyrrolidin-2-yl]methylsulfamoyl]benzamide Traditional Name: N-(3,4-dichlorophenyl)-3-[[(2S,4S)-4-mercaptopyrrolidin-2-yl]methylsulfamoyl]benzamide Formula: C18H19Cl2N3O3S2 MolecularWeight: 460.39776

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1CNS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl)S

Isomeric SMILES

C1[C@@H](CN[C@@H]1CNS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl)S

InChI

InChI=1S/C18H19Cl2N3O3S2/c19-16-5-4-12(8-17(16)20)23-18(24)11-2-1-3-15(6-11)28(25,26)22-9-13-7-14(27)10-21-13/h1-6,8,13-14,21-22,27H,7,9-10H2,(H,23,24)/t13-,14-/m0/s1