N-(2-bromophenyl)-4-[(4-methylphenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-(2-bromophenyl)-4-[(4-methylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-(2-bromophenyl)-4-(4-methyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-(2-bromophenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-(2-bromophenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide Traditional Name: N-(2-bromophenyl)-4-(N-mesyl-4-methyl-anilino)butyramide Formula: C18H21BrN2O3S MolecularWeight: 425.33994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCCC(=O)NC2=CC=CC=C2Br)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CCCC(=O)NC2=CC=CC=C2Br)S(=O)(=O)C

InChI

InChI=1S/C18H21BrN2O3S/c1-14-9-11-15(12-10-14)21(25(2,23)24)13-5-8-18(22)20-17-7-4-3-6-16(17)19/h3-4,6-7,9-12H,5,8,13H2,1-2H3,(H,20,22)