(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(1H-1,2,4-triazol-5-yl)butanamide

Systemtic Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(1H-1,2,4-triazol-5-yl)butanamide Openeye Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(1H-1,2,4-triazol-5-yl)butanamide CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(1H-1,2,4-triazol-5-yl)butanamide IUPAC Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(1H-1,2,4-triazol-5-yl)butanamide Traditional Name: (2S)-2-(brosylamino)-3-methyl-N-(1H-1,2,4-triazol-5-yl)butyramide Formula: C13H16BrN5O3S MolecularWeight: 402.26684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NC=NN1)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=NC=NN1)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H16BrN5O3S/c1-8(2)11(12(20)17-13-15-7-16-18-13)19-23(21,22)10-5-3-9(14)4-6-10/h3-8,11,19H,1-2H3,(H2,15,16,17,18,20)/t11-/m0/s1