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

Systemtic Name: 2-chloranyl-N-[4-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-methylsulfonyl-benzamide Openeye Name: N-[4-(1-allyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]-2-chloro-5-methylsulfonyl-benzamide CAS Name: 2-chloro-N-[4-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-thiazolyl]-5-methylsulfonylbenzamide IUPAC Name: 2-chloro-N-[4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide Traditional Name: N-[4-(1-allyl-2,5-dimethyl-pyrrol-3-yl)thiazol-2-yl]-2-chloro-5-mesyl-benzamide Formula: C20H20ClN3O3S2 MolecularWeight: 449.9741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C20H20ClN3O3S2/c1-5-8-24-12(2)9-15(13(24)3)18-11-28-20(22-18)23-19(25)16-10-14(29(4,26)27)6-7-17(16)21/h5-7,9-11H,1,8H2,2-4H3,(H,22,23,25)