4-(azepan-1-ylcarbonyl)-N-[(4-ethoxyphenyl)methyl]-1,2,5-trimethyl-pyrrole-3-sulfonamide

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-[(4-ethoxyphenyl)methyl]-1,2,5-trimethyl-pyrrole-3-sulfonamide Openeye Name: 4-(azepane-1-carbonyl)-N-[(4-ethoxyphenyl)methyl]-1,2,5-trimethyl-pyrrole-3-sulfonamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-[(4-ethoxyphenyl)methyl]-1,2,5-trimethyl-3-pyrrolesulfonamide IUPAC Name: 4-(azepane-1-carbonyl)-N-[(4-ethoxyphenyl)methyl]-1,2,5-trimethylpyrrole-3-sulfonamide Traditional Name: 4-(azepane-1-carbonyl)-N-(4-ethoxybenzyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide Formula: C23H33N3O4S MolecularWeight: 447.59082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCCC3)C)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CNS(=O)(=O)C2=C(N(C(=C2C(=O)N3CCCCCC3)C)C)C

InChI

InChI=1S/C23H33N3O4S/c1-5-30-20-12-10-19(11-13-20)16-24-31(28,29)22-18(3)25(4)17(2)21(22)23(27)26-14-8-6-7-9-15-26/h10-13,24H,5-9,14-16H2,1-4H3