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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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