N-(4-bromanyl-2-methyl-phenyl)-4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]butanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]butanamide Openeye Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-(4-bromo-2-methyl-phenyl)butanamide CAS Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-bromo-2-methylphenyl)butanamide IUPAC Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-bromo-2-methylphenyl)butanamide Traditional Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-(4-bromo-2-methyl-phenyl)butyramide Formula: C20H23BrN2O4S MolecularWeight: 467.37662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O4S/c1-14-13-17(21)8-11-19(14)22-20(25)5-4-12-23(3)28(26,27)18-9-6-16(7-10-18)15(2)24/h6-11,13H,4-5,12H2,1-3H3,(H,22,25)