(2R)-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

Systemtic Name: (2R)-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide Openeye Name: (2R)-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,3-dihydrobenzofuran-2-carboxamide CAS Name: (2R)-N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2,3-dihydrobenzofuran-2-carboxamide IUPAC Name: (2R)-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide Traditional Name: (2R)-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]coumaran-2-carboxamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CC3=CC=CC=C3O2)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H]2CC3=CC=CC=C3O2)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H26N2O4S/c1-16-10-11-18(15-21(16)29(26,27)24-12-6-2-3-7-13-24)23-22(25)20-14-17-8-4-5-9-19(17)28-20/h4-5,8-11,15,20H,2-3,6-7,12-14H2,1H3,(H,23,25)/t20-/m1/s1