2-(azepan-1-ylcarbonyl)-N-ethyl-3,5,6-trimethyl-N-(phenylmethyl)-1-benzofuran-7-sulfonamide

Systemtic Name: 2-(azepan-1-ylcarbonyl)-N-ethyl-3,5,6-trimethyl-N-(phenylmethyl)-1-benzofuran-7-sulfonamide Openeye Name: 2-(azepane-1-carbonyl)-N-benzyl-N-ethyl-3,5,6-trimethyl-benzofuran-7-sulfonamide CAS Name: 2-[1-azepanyl(oxo)methyl]-N-ethyl-3,5,6-trimethyl-N-(phenylmethyl)-7-benzofuransulfonamide IUPAC Name: 2-(azepane-1-carbonyl)-N-benzyl-N-ethyl-3,5,6-trimethyl-1-benzofuran-7-sulfonamide Traditional Name: 2-(azepane-1-carbonyl)-N-benzyl-N-ethyl-3,5,6-trimethyl-benzofuran-7-sulfonamide Formula: C27H34N2O4S MolecularWeight: 482.63486

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=C3C(=CC(=C2C)C)C(=C(O3)C(=O)N4CCCCCC4)C

Isomeric SMILES

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=C3C(=CC(=C2C)C)C(=C(O3)C(=O)N4CCCCCC4)C

InChI

InChI=1S/C27H34N2O4S/c1-5-29(18-22-13-9-8-10-14-22)34(31,32)26-20(3)19(2)17-23-21(4)24(33-25(23)26)27(30)28-15-11-6-7-12-16-28/h8-10,13-14,17H,5-7,11-12,15-16,18H2,1-4H3