4-(azepan-1-ylcarbonyl)-N-(2,5-diethoxyphenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-(2,5-diethoxyphenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide Openeye Name: 4-(azepane-1-carbonyl)-N-(2,5-diethoxyphenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-(2,5-diethoxyphenyl)-1,2,5-trimethyl-3-pyrrolesulfonamide IUPAC Name: 4-(azepane-1-carbonyl)-N-(2,5-diethoxyphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide Traditional Name: 4-(azepane-1-carbonyl)-N-(2,5-diethoxyphenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide Formula: C24H35N3O5S MolecularWeight: 477.6168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCCC3)C)C)C

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCCC3)C)C)C

InChI

InChI=1S/C24H35N3O5S/c1-6-31-19-12-13-21(32-7-2)20(16-19)25-33(29,30)23-18(4)26(5)17(3)22(23)24(28)27-14-10-8-9-11-15-27/h12-13,16,25H,6-11,14-15H2,1-5H3