(2S)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide

Systemtic Name: (2S)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide Openeye Name: (2S)-N-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl]-3-methyl-2-(p-tolylsulfonylamino)butanamide CAS Name: (2S)-N-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide IUPAC Name: (2S)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide Traditional Name: (2S)-N-[(5-ethoxy-2-methyl-coumaran-6-yl)methyl]-3-methyl-2-(tosylamino)butyramide Formula: C24H32N2O5S MolecularWeight: 460.58628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)C(C(C)C)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)[C@H](C(C)C)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H32N2O5S/c1-6-30-21-12-18-11-17(5)31-22(18)13-19(21)14-25-24(27)23(15(2)3)26-32(28,29)20-9-7-16(4)8-10-20/h7-10,12-13,15,17,23,26H,6,11,14H2,1-5H3,(H,25,27)/t17?,23-/m0/s1