N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(1R)-3-oxidanylidene-1H-2-benzofuran-1-yl]ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(1R)-3-oxidanylidene-1H-2-benzofuran-1-yl]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(1R)-3-oxo-1H-isobenzofuran-1-yl]acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-[(1R)-3-oxo-1H-isobenzofuran-1-yl]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(1R)-3-ketophthalan-1-yl]acetamide Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2C3=CC=CC=C3C(=O)O2)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[C@@H]2C3=CC=CC=C3C(=O)O2)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H26N2O5S/c1-16-10-11-17(14-21(16)31(28,29)25-12-6-2-3-7-13-25)24-22(26)15-20-18-8-4-5-9-19(18)23(27)30-20/h4-5,8-11,14,20H,2-3,6-7,12-13,15H2,1H3,(H,24,26)/t20-/m1/s1