N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

Systemtic Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Openeye Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-(thiazol-4-ylmethylsulfanyl)benzamide CAS Name: N-[3-(1-pyrrolidinylsulfonyl)phenyl]-2-(4-thiazolylmethylthio)benzamide IUPAC Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Traditional Name: N-(3-pyrrolidinosulfonylphenyl)-2-(thiazol-4-ylmethylthio)benzamide Formula: C21H21N3O3S3 MolecularWeight: 459.60474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=CC=C3SCC4=CSC=N4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=CC=C3SCC4=CSC=N4

InChI

InChI=1S/C21H21N3O3S3/c25-21(19-8-1-2-9-20(19)29-14-17-13-28-15-22-17)23-16-6-5-7-18(12-16)30(26,27)24-10-3-4-11-24/h1-2,5-9,12-13,15H,3-4,10-11,14H2,(H,23,25)