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

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-(2-ethylphenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide Openeye Name: 4-(azepane-1-carbonyl)-N-(2-ethylphenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-(2-ethylphenyl)-1,2,5-trimethyl-3-pyrrolesulfonamide IUPAC Name: 4-(azepane-1-carbonyl)-N-(2-ethylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide Traditional Name: 4-(azepane-1-carbonyl)-N-(2-ethylphenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide Formula: C22H31N3O3S MolecularWeight: 417.56484

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O3S/c1-5-18-12-8-9-13-19(18)23-29(27,28)21-17(3)24(4)16(2)20(21)22(26)25-14-10-6-7-11-15-25/h8-9,12-13,23H,5-7,10-11,14-15H2,1-4H3