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

Systemtic Name: (2S)-N-(3-ethynylphenyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide Openeye Name: (2S)-N-(3-ethynylphenyl)-3-methyl-2-(p-tolylsulfonylamino)butanamide CAS Name: (2S)-N-(3-ethynylphenyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide IUPAC Name: (2S)-N-(3-ethynylphenyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide Traditional Name: (2S)-N-(3-ethynylphenyl)-3-methyl-2-(tosylamino)butyramide Formula: C20H22N2O3S MolecularWeight: 370.46528

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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)C#C

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S/c1-5-16-7-6-8-17(13-16)21-20(23)19(14(2)3)22-26(24,25)18-11-9-15(4)10-12-18/h1,6-14,19,22H,2-4H3,(H,21,23)/t19-/m0/s1