(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(1-propylbenzimidazol-2-yl)butanamide

Systemtic Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(1-propylbenzimidazol-2-yl)butanamide Openeye Name: (2S)-3-methyl-N-(1-propylbenzimidazol-2-yl)-2-(p-tolylsulfonylamino)butanamide CAS Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(1-propyl-2-benzimidazolyl)butanamide IUPAC Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(1-propylbenzimidazol-2-yl)butanamide Traditional Name: (2S)-3-methyl-N-(1-propylbenzimidazol-2-yl)-2-(tosylamino)butyramide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1NC(=O)C(C(C)C)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1NC(=O)[C@H](C(C)C)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H28N4O3S/c1-5-14-26-19-9-7-6-8-18(19)23-22(26)24-21(27)20(15(2)3)25-30(28,29)17-12-10-16(4)11-13-17/h6-13,15,20,25H,5,14H2,1-4H3,(H,23,24,27)/t20-/m0/s1