N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-(4-methylsulfanylphenyl)thiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[4-[4-(methylthio)phenyl]-2-thiazolyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[4-[4-(methylthio)phenyl]thiazol-2-yl]-3-pyrrolidinosulfonyl-benzamide Formula: C21H21N3O3S3 MolecularWeight: 459.60474

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H21N3O3S3/c1-28-17-9-7-15(8-10-17)19-14-29-21(22-19)23-20(25)16-5-4-6-18(13-16)30(26,27)24-11-2-3-12-24/h4-10,13-14H,2-3,11-12H2,1H3,(H,22,23,25)