N-(2-phenylsulfanylphenyl)-3-(propylsulfamoyl)-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(2-phenylsulfanylphenyl)-3-(propylsulfamoyl)-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(2-phenylsulfanylphenyl)-3-(propylsulfamoyl)-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-(phenylthio)phenyl]-3-(propylsulfamoyl)-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(2-phenylsulfanylphenyl)-3-(propylsulfamoyl)-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(phenylthio)phenyl]-3-(propylsulfamoyl)-4-pyrrolidino-benzamide Formula: C26H29N3O3S2 MolecularWeight: 495.65676

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Descriptors Computed from Structure

Canonical SMILES:

CCCNS(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3)N4CCCC4

Isomeric SMILES

CCCNS(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C26H29N3O3S2/c1-2-16-27-34(31,32)25-19-20(14-15-23(25)29-17-8-9-18-29)26(30)28-22-12-6-7-13-24(22)33-21-10-4-3-5-11-21/h3-7,10-15,19,27H,2,8-9,16-18H2,1H3,(H,28,30)