(2R)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

Systemtic Name: (2R)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide Openeye Name: (2R)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,3-dihydrobenzofuran-2-carboxamide CAS Name: (2R)-N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2,3-dihydrobenzofuran-2-carboxamide IUPAC Name: (2R)-N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide Traditional Name: (2R)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]coumaran-2-carboxamide Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3CC4=CC=CC=C4O3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)[C@H]3CC4=CC=CC=C4O3

InChI

InChI=1S/C22H26N2O5S/c1-28-20-11-10-17(30(26,27)24-12-6-2-3-7-13-24)15-18(20)23-22(25)21-14-16-8-4-5-9-19(16)29-21/h4-5,8-11,15,21H,2-3,6-7,12-14H2,1H3,(H,23,25)/t21-/m1/s1