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

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-(4-ethanoylphenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide Openeye Name: N-(4-acetylphenyl)-4-(azepane-1-carbonyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide CAS Name: N-(4-acetylphenyl)-4-[1-azepanyl(oxo)methyl]-1,2,5-trimethyl-3-pyrrolesulfonamide IUPAC Name: N-(4-acetylphenyl)-4-(azepane-1-carbonyl)-1,2,5-trimethylpyrrole-3-sulfonamide Traditional Name: N-(4-acetylphenyl)-4-(azepane-1-carbonyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)C)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)C)C(=O)N3CCCCCC3

InChI

InChI=1S/C22H29N3O4S/c1-15-20(22(27)25-13-7-5-6-8-14-25)21(16(2)24(15)4)30(28,29)23-19-11-9-18(10-12-19)17(3)26/h9-12,23H,5-8,13-14H2,1-4H3