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

Systemtic Name: 4-[[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoyl]amino]benzamide Openeye Name: 4-[[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoyl]amino]benzamide CAS Name: 4-[[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-1-oxobutyl]amino]benzamide IUPAC Name: 4-[[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoyl]amino]benzamide Traditional Name: 4-[[(2S)-2-(brosylamino)-3-methyl-butanoyl]amino]benzamide Formula: C18H20BrN3O4S MolecularWeight: 454.3381

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)C(=O)N)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)N)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H20BrN3O4S/c1-11(2)16(22-27(25,26)15-9-5-13(19)6-10-15)18(24)21-14-7-3-12(4-8-14)17(20)23/h3-11,16,22H,1-2H3,(H2,20,23)(H,21,24)/t16-/m0/s1