4-(azepan-1-ylcarbonyl)-1,2,5-trimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrrole-3-sulfonamide

Systemtic Name: 4-(azepan-1-ylcarbonyl)-1,2,5-trimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrrole-3-sulfonamide Openeye Name: 4-(azepane-1-carbonyl)-N-(4-isoxazol-5-ylphenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-[4-(5-isoxazolyl)phenyl]-1,2,5-trimethyl-3-pyrrolesulfonamide IUPAC Name: 4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-[4-(1,2-oxazol-5-yl)phenyl]pyrrole-3-sulfonamide Traditional Name: 4-(azepane-1-carbonyl)-N-(4-isoxazol-5-ylphenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC=C(C=C2)C3=CC=NO3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC=C(C=C2)C3=CC=NO3)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H28N4O4S/c1-16-21(23(28)27-14-6-4-5-7-15-27)22(17(2)26(16)3)32(29,30)25-19-10-8-18(9-11-19)20-12-13-24-31-20/h8-13,25H,4-7,14-15H2,1-3H3