N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-2-chloranyl-5-methylsulfonyl-benzamide

Systemtic Name: N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-2-chloranyl-5-methylsulfonyl-benzamide Openeye Name: N-[4-(4-butylphenyl)thiazol-2-yl]-2-chloro-5-methylsulfonyl-benzamide CAS Name: N-[4-(4-butylphenyl)-2-thiazolyl]-2-chloro-5-methylsulfonylbenzamide IUPAC Name: N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-2-chloro-5-methylsulfonylbenzamide Traditional Name: N-[4-(4-butylphenyl)thiazol-2-yl]-2-chloro-5-mesyl-benzamide Formula: C21H21ClN2O3S2 MolecularWeight: 448.98604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C21H21ClN2O3S2/c1-3-4-5-14-6-8-15(9-7-14)19-13-28-21(23-19)24-20(25)17-12-16(29(2,26)27)10-11-18(17)22/h6-13H,3-5H2,1-2H3,(H,23,24,25)