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

Systemtic Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(2-pyridin-2-ylethyl)butanamide Openeye Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[2-(2-pyridyl)ethyl]butanamide CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[2-(2-pyridinyl)ethyl]butanamide IUPAC Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(2-pyridin-2-ylethyl)butanamide Traditional Name: (2S)-2-(brosylamino)-3-methyl-N-[2-(2-pyridyl)ethyl]butyramide Formula: C18H22BrN3O3S MolecularWeight: 440.35458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCC1=CC=CC=N1)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCC1=CC=CC=N1)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H22BrN3O3S/c1-13(2)17(18(23)21-12-10-15-5-3-4-11-20-15)22-26(24,25)16-8-6-14(19)7-9-16/h3-9,11,13,17,22H,10,12H2,1-2H3,(H,21,23)/t17-/m0/s1