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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCCC3)C)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCCC3)C)C)C)C

InChI

InChI=1S/C22H31N3O3S/c1-15-12-16(2)14-19(13-15)23-29(27,28)21-18(4)24(5)17(3)20(21)22(26)25-10-8-6-7-9-11-25/h12-14,23H,6-11H2,1-5H3