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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(1R)-3-oxidanylidene-1H-2-benzofuran-1-yl]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(1R)-3-oxo-1H-isobenzofuran-1-yl]acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-[(1R)-3-oxo-1H-isobenzofuran-1-yl]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(1R)-3-ketophthalan-1-yl]acetamide Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[C@@H]3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C22H24N2O5S/c25-21(15-20-18-10-3-4-11-19(18)22(26)29-20)23-16-8-7-9-17(14-16)30(27,28)24-12-5-1-2-6-13-24/h3-4,7-11,14,20H,1-2,5-6,12-13,15H2,(H,23,25)/t20-/m1/s1