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

Systemtic Name: 3-[[[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoyl]amino]methyl]-N-methyl-benzamide Openeye Name: 3-[[[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoyl]amino]methyl]-N-methyl-benzamide CAS Name: 3-[[[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-1-oxobutyl]amino]methyl]-N-methylbenzamide IUPAC Name: 3-[[[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoyl]amino]methyl]-N-methylbenzamide Traditional Name: 3-[[[(2S)-2-(brosylamino)-3-methyl-butanoyl]amino]methyl]-N-methyl-benzamide Formula: C20H24BrN3O4S MolecularWeight: 482.39126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=CC(=C1)C(=O)NC)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC=CC(=C1)C(=O)NC)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H24BrN3O4S/c1-13(2)18(24-29(27,28)17-9-7-16(21)8-10-17)20(26)23-12-14-5-4-6-15(11-14)19(25)22-3/h4-11,13,18,24H,12H2,1-3H3,(H,22,25)(H,23,26)/t18-/m0/s1