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

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-(3-chlorophenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide Openeye Name: 4-(azepane-1-carbonyl)-N-(3-chlorophenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-(3-chlorophenyl)-1,2,5-trimethyl-3-pyrrolesulfonamide IUPAC Name: 4-(azepane-1-carbonyl)-N-(3-chlorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide Traditional Name: 4-(azepane-1-carbonyl)-N-(3-chlorophenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide Formula: C20H26ClN3O3S MolecularWeight: 423.95674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN3O3S/c1-14-18(20(25)24-11-6-4-5-7-12-24)19(15(2)23(14)3)28(26,27)22-17-10-8-9-16(21)13-17/h8-10,13,22H,4-7,11-12H2,1-3H3