N-(3-bromophenyl)-4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-(3-bromophenyl)-4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-(3-bromophenyl)-4-(5-chloro-2-methyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-(3-bromophenyl)-4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-(3-bromophenyl)-4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide Traditional Name: N-(3-bromophenyl)-4-(5-chloro-N-mesyl-2-methyl-anilino)butyramide Formula: C18H20BrClN2O3S MolecularWeight: 459.785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)NC2=CC(=CC=C2)Br)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)NC2=CC(=CC=C2)Br)S(=O)(=O)C

InChI

InChI=1S/C18H20BrClN2O3S/c1-13-8-9-15(20)12-17(13)22(26(2,24)25)10-4-7-18(23)21-16-6-3-5-14(19)11-16/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,21,23)