(2S)-N-[1-(3-bromophenyl)ethyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide

Systemtic Name: (2S)-N-[1-(3-bromophenyl)ethyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide Openeye Name: (2S)-N-[1-(3-bromophenyl)ethyl]-3-methyl-2-(p-tolylsulfonylamino)butanamide CAS Name: (2S)-N-[1-(3-bromophenyl)ethyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide IUPAC Name: (2S)-N-[1-(3-bromophenyl)ethyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide Traditional Name: (2S)-N-[1-(3-bromophenyl)ethyl]-3-methyl-2-(tosylamino)butyramide Formula: C20H25BrN2O3S MolecularWeight: 453.3931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NC(C)C2=CC(=CC=C2)Br

InChI

InChI=1S/C20H25BrN2O3S/c1-13(2)19(23-27(25,26)18-10-8-14(3)9-11-18)20(24)22-15(4)16-6-5-7-17(21)12-16/h5-13,15,19,23H,1-4H3,(H,22,24)/t15?,19-/m0/s1