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

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide Openeye Name: 4-(azepane-1-carbonyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-(1,3-benzodioxol-5-ylmethyl)-1,2,5-trimethyl-3-pyrrolesulfonamide IUPAC Name: 4-(azepane-1-carbonyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,2,5-trimethylpyrrole-3-sulfonamide Traditional Name: 4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-piperonyl-pyrrole-3-sulfonamide Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C)C)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=C(N1C)C)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)N4CCCCCC4

InChI

InChI=1S/C22H29N3O5S/c1-15-20(22(26)25-10-6-4-5-7-11-25)21(16(2)24(15)3)31(27,28)23-13-17-8-9-18-19(12-17)30-14-29-18/h8-9,12,23H,4-7,10-11,13-14H2,1-3H3