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

Systemtic Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[3-(phenylcarbamoylamino)phenyl]butanamide Openeye Name: (2S)-3-methyl-N-[3-(phenylcarbamoylamino)phenyl]-2-(p-tolylsulfonylamino)butanamide CAS Name: (2S)-N-[3-[[anilino(oxo)methyl]amino]phenyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide IUPAC Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[3-(phenylcarbamoylamino)phenyl]butanamide Traditional Name: (2S)-3-methyl-N-[3-(phenylcarbamoylamino)phenyl]-2-(tosylamino)butyramide Formula: C25H28N4O4S MolecularWeight: 480.57922

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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(=CC=C2)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NC2=CC(=CC=C2)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C25H28N4O4S/c1-17(2)23(29-34(32,33)22-14-12-18(3)13-15-22)24(30)26-20-10-7-11-21(16-20)28-25(31)27-19-8-5-4-6-9-19/h4-17,23,29H,1-3H3,(H,26,30)(H2,27,28,31)/t23-/m0/s1