(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide

Systemtic Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide Openeye Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyl-2-(p-tolylsulfonylamino)butanamide CAS Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide IUPAC Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide Traditional Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyl-2-(tosylamino)butyramide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)NCC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NCC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H26N2O5S/c1-14(2)20(23-29(25,26)17-7-4-15(3)5-8-17)21(24)22-13-16-6-9-18-19(12-16)28-11-10-27-18/h4-9,12,14,20,23H,10-11,13H2,1-3H3,(H,22,24)/t20-/m0/s1