N-[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-methylsulfonyl-benzamide

Systemtic Name: N-[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-methylsulfonyl-benzamide Openeye Name: N-[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)thiazol-2-yl]-3-methylsulfonyl-benzamide CAS Name: N-[4-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-thiazolyl]-3-methylsulfonylbenzamide IUPAC Name: N-[4-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide Traditional Name: N-[4-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)thiazol-2-yl]-3-mesyl-benzamide Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C3=CSC(=N3)NC(=O)C4=CC(=CC=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C3=CSC(=N3)NC(=O)C4=CC(=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C25H25N3O3S2/c1-17-14-22(18(2)28(17)13-12-19-8-5-4-6-9-19)23-16-32-25(26-23)27-24(29)20-10-7-11-21(15-20)33(3,30)31/h4-11,14-16H,12-13H2,1-3H3,(H,26,27,29)