(2R)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(3-methylsulfanylphenyl)butanamide

Systemtic Name: (2R)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(3-methylsulfanylphenyl)butanamide Openeye Name: (2R)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(3-methylsulfanylphenyl)butanamide CAS Name: (2R)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[3-(methylthio)phenyl]butanamide IUPAC Name: (2R)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(3-methylsulfanylphenyl)butanamide Traditional Name: (2R)-2-(brosylamino)-3-methyl-N-[3-(methylthio)phenyl]butyramide Formula: C18H21BrN2O3S2 MolecularWeight: 457.40494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC(=CC=C1)SC)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)[C@H](C(=O)NC1=CC(=CC=C1)SC)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H21BrN2O3S2/c1-12(2)17(18(22)20-14-5-4-6-15(11-14)25-3)21-26(23,24)16-9-7-13(19)8-10-16/h4-12,17,21H,1-3H3,(H,20,22)/t17-/m1/s1