N-[2,6-bis(chloranyl)-4-(3-methylbutanoylamino)phenyl]-4-methylsulfonyl-benzamide

Systemtic Name: N-[2,6-bis(chloranyl)-4-(3-methylbutanoylamino)phenyl]-4-methylsulfonyl-benzamide Openeye Name: N-[2,6-dichloro-4-(3-methylbutanoylamino)phenyl]-4-methylsulfonyl-benzamide CAS Name: N-[2,6-dichloro-4-[(3-methyl-1-oxobutyl)amino]phenyl]-4-methylsulfonylbenzamide IUPAC Name: N-[2,6-dichloro-4-(3-methylbutanoylamino)phenyl]-4-methylsulfonylbenzamide Traditional Name: N-[2,6-dichloro-4-(isovalerylamino)phenyl]-4-mesyl-benzamide Formula: C19H20Cl2N2O4S MolecularWeight: 443.3441

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=C(C(=C1)Cl)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C(=C1)Cl)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C19H20Cl2N2O4S/c1-11(2)8-17(24)22-13-9-15(20)18(16(21)10-13)23-19(25)12-4-6-14(7-5-12)28(3,26)27/h4-7,9-11H,8H2,1-3H3,(H,22,24)(H,23,25)