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

Systemtic Name: (2S)-N-[1-(1-benzofuran-2-yl)ethyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide Openeye Name: (2S)-N-[1-(benzofuran-2-yl)ethyl]-3-methyl-2-(p-tolylsulfonylamino)butanamide CAS Name: (2S)-N-[1-(2-benzofuranyl)ethyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide IUPAC Name: (2S)-N-[1-(1-benzofuran-2-yl)ethyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide Traditional Name: (2S)-N-[1-(benzofuran-2-yl)ethyl]-3-methyl-2-(tosylamino)butyramide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)NC(C)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NC(C)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C22H26N2O4S/c1-14(2)21(24-29(26,27)18-11-9-15(3)10-12-18)22(25)23-16(4)20-13-17-7-5-6-8-19(17)28-20/h5-14,16,21,24H,1-4H3,(H,23,25)/t16?,21-/m0/s1