N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-(5-ethoxy-2-methyl-coumaran-6-yl)-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H26N2O6S2/c1-3-28-21-13-16-12-15(2)29-20(16)14-19(21)22-30(24,25)17-6-8-18(9-7-17)31(26,27)23-10-4-5-11-23/h6-9,13-15,22H,3-5,10-12H2,1-2H3