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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C)C)S(=O)(=O)NCCC2=CC=CC=C2)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=C(N1C)C)S(=O)(=O)NCCC2=CC=CC=C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C22H31N3O3S/c1-17-20(22(26)25-15-9-4-5-10-16-25)21(18(2)24(17)3)29(27,28)23-14-13-19-11-7-6-8-12-19/h6-8,11-12,23H,4-5,9-10,13-16H2,1-3H3