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

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-(3,4-dimethoxyphenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide Openeye Name: 4-(azepane-1-carbonyl)-N-(3,4-dimethoxyphenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-(3,4-dimethoxyphenyl)-1,2,5-trimethyl-3-pyrrolesulfonamide IUPAC Name: 4-(azepane-1-carbonyl)-N-(3,4-dimethoxyphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide Traditional Name: 4-(azepane-1-carbonyl)-N-(3,4-dimethoxyphenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide Formula: C22H31N3O5S MolecularWeight: 449.56364

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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)OC)C(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O5S/c1-15-20(22(26)25-12-8-6-7-9-13-25)21(16(2)24(15)3)31(27,28)23-17-10-11-18(29-4)19(14-17)30-5/h10-11,14,23H,6-9,12-13H2,1-5H3