(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(1-thiophen-2-ylethyl)butanamide

Systemtic Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(1-thiophen-2-ylethyl)butanamide Openeye Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[1-(2-thienyl)ethyl]butanamide CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(1-thiophen-2-ylethyl)butanamide IUPAC Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(1-thiophen-2-ylethyl)butanamide Traditional Name: (2S)-2-(brosylamino)-3-methyl-N-[1-(2-thienyl)ethyl]butyramide Formula: C17H21BrN2O3S2 MolecularWeight: 445.39424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)C1=CC=CS1)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)NC(C)C1=CC=CS1)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H21BrN2O3S2/c1-11(2)16(17(21)19-12(3)15-5-4-10-24-15)20-25(22,23)14-8-6-13(18)7-9-14/h4-12,16,20H,1-3H3,(H,19,21)/t12?,16-/m0/s1