4-[[1-(4-tert-butylphenyl)sulfonylbenzimidazol-2-yl]methyl]morpholin-4-ium

Systemtic Name: 4-[[1-(4-tert-butylphenyl)sulfonylbenzimidazol-2-yl]methyl]morpholin-4-ium Openeye Name: 4-[[1-(4-tert-butylphenyl)sulfonylbenzimidazol-2-yl]methyl]morpholin-4-ium CAS Name: 4-[[1-(4-tert-butylphenyl)sulfonyl-2-benzimidazolyl]methyl]morpholin-4-ium IUPAC Name: 4-[[1-(4-tert-butylphenyl)sulfonylbenzimidazol-2-yl]methyl]morpholin-4-ium Traditional Name: 4-[[1-(4-tert-butylphenyl)sulfonylbenzimidazol-2-yl]methyl]morpholin-4-ium Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2C[NH+]4CCOCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2C[NH+]4CCOCC4

InChI

InChI=1S/C22H27N3O3S/c1-22(2,3)17-8-10-18(11-9-17)29(26,27)25-20-7-5-4-6-19(20)23-21(25)16-24-12-14-28-15-13-24/h4-11H,12-16H2,1-3H3/p+1