4-(azepan-1-ylcarbonyl)-N-(2-ethyl-6-methyl-phenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-(2-ethyl-6-methyl-phenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide Openeye Name: 4-(azepane-1-carbonyl)-N-(2-ethyl-6-methyl-phenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-(2-ethyl-6-methylphenyl)-1,2,5-trimethyl-3-pyrrolesulfonamide IUPAC Name: 4-(azepane-1-carbonyl)-N-(2-ethyl-6-methylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide Traditional Name: 4-(azepane-1-carbonyl)-N-(2-ethyl-6-methyl-phenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide Formula: C23H33N3O3S MolecularWeight: 431.59142

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCCC3)C)C)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCCC3)C)C)C)C

InChI

InChI=1S/C23H33N3O3S/c1-6-19-13-11-12-16(2)21(19)24-30(28,29)22-18(4)25(5)17(3)20(22)23(27)26-14-9-7-8-10-15-26/h11-13,24H,6-10,14-15H2,1-5H3