N-tert-butyl-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Formula: C22H38N3O3S+ MolecularWeight: 424.62042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)NC(C)(C)C)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)NC(C)(C)C)C)C

InChI

InChI=1S/C22H37N3O3S/c1-15-16(2)18(4)21(19(5)17(15)3)29(27,28)25-11-9-10-24(12-13-25)14-20(26)23-22(6,7)8/h9-14H2,1-8H3,(H,23,26)/p+1