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

Systemtic Name: 4-methoxy-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-methoxy-N-[4-(4-methylsulfanylphenyl)thiazol-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-methoxy-N-[4-[4-(methylthio)phenyl]-2-thiazolyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-methoxy-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-methoxy-N-[4-[4-(methylthio)phenyl]thiazol-2-yl]-3-pyrrolidinosulfonyl-benzamide Formula: C22H23N3O4S3 MolecularWeight: 489.63072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)SC)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)SC)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H23N3O4S3/c1-29-19-10-7-16(13-20(19)32(27,28)25-11-3-4-12-25)21(26)24-22-23-18(14-31-22)15-5-8-17(30-2)9-6-15/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,24,26)