4-(azepan-1-ylcarbonyl)-N-(3-chloranyl-4-methoxy-phenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-(3-chloranyl-4-methoxy-phenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide Openeye Name: 4-(azepane-1-carbonyl)-N-(3-chloro-4-methoxy-phenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-(3-chloro-4-methoxyphenyl)-1,2,5-trimethyl-3-pyrrolesulfonamide IUPAC Name: 4-(azepane-1-carbonyl)-N-(3-chloro-4-methoxyphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide Traditional Name: 4-(azepane-1-carbonyl)-N-(3-chloro-4-methoxy-phenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide Formula: C21H28ClN3O4S MolecularWeight: 453.98272

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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)Cl)C(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClN3O4S/c1-14-19(21(26)25-11-7-5-6-8-12-25)20(15(2)24(14)3)30(27,28)23-16-9-10-18(29-4)17(22)13-16/h9-10,13,23H,5-8,11-12H2,1-4H3