(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(5-morpholin-4-ylpyridin-2-yl)butanamide

Systemtic Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(5-morpholin-4-ylpyridin-2-yl)butanamide Openeye Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(5-morpholino-2-pyridyl)butanamide CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[5-(4-morpholinyl)-2-pyridinyl]butanamide IUPAC Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(5-morpholin-4-ylpyridin-2-yl)butanamide Traditional Name: (2S)-2-(brosylamino)-3-methyl-N-(5-morpholino-2-pyridyl)butyramide Formula: C20H25BrN4O4S MolecularWeight: 497.4059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NC=C(C=C1)N2CCOCC2)NS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=NC=C(C=C1)N2CCOCC2)NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H25BrN4O4S/c1-14(2)19(24-30(27,28)17-6-3-15(21)4-7-17)20(26)23-18-8-5-16(13-22-18)25-9-11-29-12-10-25/h3-8,13-14,19,24H,9-12H2,1-2H3,(H,22,23,26)/t19-/m0/s1