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

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-(4-methoxyphenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide Openeye Name: 4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-(4-methoxyphenyl)-1,2,5-trimethyl-3-pyrrolesulfonamide IUPAC Name: 4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide Traditional Name: 4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S/c1-15-19(21(25)24-13-7-5-6-8-14-24)20(16(2)23(15)3)29(26,27)22-17-9-11-18(28-4)12-10-17/h9-12,22H,5-8,13-14H2,1-4H3