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

Systemtic Name: N-tert-butyl-2-[4-(3-cyanophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(3-cyanophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-(3-cyanophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(3-cyanophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(3-cyanophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Formula: C18H27N4O3S+ MolecularWeight: 379.49698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O3S/c1-18(2,3)20-17(23)14-21-8-5-9-22(11-10-21)26(24,25)16-7-4-6-15(12-16)13-19/h4,6-7,12H,5,8-11,14H2,1-3H3,(H,20,23)/p+1