(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-butanamide

Systemtic Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-butanamide Openeye Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dihydrobenzofuran-2-ylmethyl)-3-methyl-butanamide CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dihydrobenzofuran-2-ylmethyl)-3-methylbutanamide IUPAC Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanamide Traditional Name: (2S)-2-(brosylamino)-N-(coumaran-2-ylmethyl)-3-methyl-butyramide Formula: C20H23BrN2O4S MolecularWeight: 467.37662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1CC2=CC=CC=C2O1)NS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1CC2=CC=CC=C2O1)NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H23BrN2O4S/c1-13(2)19(23-28(25,26)17-9-7-15(21)8-10-17)20(24)22-12-16-11-14-5-3-4-6-18(14)27-16/h3-10,13,16,19,23H,11-12H2,1-2H3,(H,22,24)/t16?,19-/m0/s1