(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[4-(2-methylpropanoylamino)phenyl]butanamide

Systemtic Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[4-(2-methylpropanoylamino)phenyl]butanamide Openeye Name: (2S)-3-methyl-N-[4-(2-methylpropanoylamino)phenyl]-2-(p-tolylsulfonylamino)butanamide CAS Name: (2S)-3-methyl-N-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-[(4-methylphenyl)sulfonylamino]butanamide IUPAC Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[4-(2-methylpropanoylamino)phenyl]butanamide Traditional Name: (2S)-N-[4-(isobutyrylamino)phenyl]-3-methyl-2-(tosylamino)butyramide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)NC2=CC=C(C=C2)NC(=O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NC2=CC=C(C=C2)NC(=O)C(C)C

InChI

InChI=1S/C22H29N3O4S/c1-14(2)20(25-30(28,29)19-12-6-16(5)7-13-19)22(27)24-18-10-8-17(9-11-18)23-21(26)15(3)4/h6-15,20,25H,1-5H3,(H,23,26)(H,24,27)/t20-/m0/s1