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

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-(4-ethoxyphenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide Openeye Name: 4-(azepane-1-carbonyl)-N-(4-ethoxyphenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-(4-ethoxyphenyl)-1,2,5-trimethyl-3-pyrrolesulfonamide IUPAC Name: 4-(azepane-1-carbonyl)-N-(4-ethoxyphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide Traditional Name: 4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-p-phenetyl-pyrrole-3-sulfonamide Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O4S/c1-5-29-19-12-10-18(11-13-19)23-30(27,28)21-17(3)24(4)16(2)20(21)22(26)25-14-8-6-7-9-15-25/h10-13,23H,5-9,14-15H2,1-4H3