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

Systemtic Name: N-tert-butyl-2-[4-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[(2-keto-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C18H28N5O4S+ MolecularWeight: 410.51102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3

InChI

InChI=1S/C18H27N5O4S/c1-18(2,3)21-16(24)12-22-7-4-8-23(10-9-22)28(26,27)13-5-6-14-15(11-13)20-17(25)19-14/h5-6,11H,4,7-10,12H2,1-3H3,(H,21,24)(H2,19,20,25)/p+1