4-[[[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoyl]-methyl-amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoyl]-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoyl]-methyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-1-oxobutyl]-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoyl]-methylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[[(2S)-2-(brosylamino)-3-methyl-butanoyl]-methyl-amino]methyl]-N-methyl-benzamide Formula: C21H26BrN3O4S MolecularWeight: 496.41784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(C)CC1=CC=C(C=C1)C(=O)NC)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)N(C)CC1=CC=C(C=C1)C(=O)NC)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H26BrN3O4S/c1-14(2)19(24-30(28,29)18-11-9-17(22)10-12-18)21(27)25(4)13-15-5-7-16(8-6-15)20(26)23-3/h5-12,14,19,24H,13H2,1-4H3,(H,23,26)/t19-/m0/s1