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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC=CC=C2Cl)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC=CC=C2Cl)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H26ClN3O3S/c1-14-18(20(25)24-12-8-4-5-9-13-24)19(15(2)23(14)3)28(26,27)22-17-11-7-6-10-16(17)21/h6-7,10-11,22H,4-5,8-9,12-13H2,1-3H3