4-(azepan-1-ylcarbonyl)-N,1,2,5-tetramethyl-N-(4-methylphenyl)pyrrole-3-sulfonamide

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N,1,2,5-tetramethyl-N-(4-methylphenyl)pyrrole-3-sulfonamide Openeye Name: 4-(azepane-1-carbonyl)-N,1,2,5-tetramethyl-N-(p-tolyl)pyrrole-3-sulfonamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N,1,2,5-tetramethyl-N-(4-methylphenyl)-3-pyrrolesulfonamide IUPAC Name: 4-(azepane-1-carbonyl)-N,1,2,5-tetramethyl-N-(4-methylphenyl)pyrrole-3-sulfonamide Traditional Name: 4-(azepane-1-carbonyl)-N,1,2,5-tetramethyl-N-(p-tolyl)pyrrole-3-sulfonamide Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCCC3)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCCC3)C)C)C

InChI

InChI=1S/C22H31N3O3S/c1-16-10-12-19(13-11-16)24(5)29(27,28)21-18(3)23(4)17(2)20(21)22(26)25-14-8-6-7-9-15-25/h10-13H,6-9,14-15H2,1-5H3