N-(2-chloranyl-5-methylsulfonyl-phenyl)-4-(3-methylphenoxy)butanamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-4-(3-methylphenoxy)butanamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-4-(3-methylphenoxy)butanamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-4-(3-methylphenoxy)butanamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-4-(3-methylphenoxy)butanamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-4-(3-methylphenoxy)butyramide Formula: C18H20ClNO4S MolecularWeight: 381.8737

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C18H20ClNO4S/c1-13-5-3-6-14(11-13)24-10-4-7-18(21)20-17-12-15(25(2,22)23)8-9-16(17)19/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,20,21)