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

Systemtic Name: N-tert-butyl-2-[4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-(4-mesitylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide Formula: C20H34N3O3S+ MolecularWeight: 396.56726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)NC(C)(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)NC(C)(C)C)C

InChI

InChI=1S/C20H33N3O3S/c1-15-12-16(2)19(17(3)13-15)27(25,26)23-9-7-8-22(10-11-23)14-18(24)21-20(4,5)6/h12-13H,7-11,14H2,1-6H3,(H,21,24)/p+1