4-[[2,5-bis(chloranyl)phenyl]-methylsulfonyl-amino]-N-(2-methyl-6-propan-2-yl-phenyl)butanamide

Systemtic Name: 4-[[2,5-bis(chloranyl)phenyl]-methylsulfonyl-amino]-N-(2-methyl-6-propan-2-yl-phenyl)butanamide Openeye Name: 4-(2,5-dichloro-N-methylsulfonyl-anilino)-N-(2-isopropyl-6-methyl-phenyl)butanamide CAS Name: 4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)butanamide IUPAC Name: 4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)butanamide Traditional Name: 4-(2,5-dichloro-N-mesyl-anilino)-N-(2-isopropyl-6-methyl-phenyl)butyramide Formula: C21H26Cl2N2O3S MolecularWeight: 457.41374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)CCCN(C2=C(C=CC(=C2)Cl)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)CCCN(C2=C(C=CC(=C2)Cl)Cl)S(=O)(=O)C

InChI

InChI=1S/C21H26Cl2N2O3S/c1-14(2)17-8-5-7-15(3)21(17)24-20(26)9-6-12-25(29(4,27)28)19-13-16(22)10-11-18(19)23/h5,7-8,10-11,13-14H,6,9,12H2,1-4H3,(H,24,26)