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

Systemtic Name: 4-(azepan-1-ylcarbonyl)-1,2,5-trimethyl-N-(2-methylphenyl)pyrrole-3-sulfonamide Openeye Name: 4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-(o-tolyl)pyrrole-3-sulfonamide CAS Name: 4-[1-azepanyl(oxo)methyl]-1,2,5-trimethyl-N-(2-methylphenyl)-3-pyrrolesulfonamide IUPAC Name: 4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-(2-methylphenyl)pyrrole-3-sulfonamide Traditional Name: 4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-(o-tolyl)pyrrole-3-sulfonamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCCC3)C)C)C

Isomeric SMILES

CC1=CC=CC=C1NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCCC3)C)C)C

InChI

InChI=1S/C21H29N3O3S/c1-15-11-7-8-12-18(15)22-28(26,27)20-17(3)23(4)16(2)19(20)21(25)24-13-9-5-6-10-14-24/h7-8,11-12,22H,5-6,9-10,13-14H2,1-4H3