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

Systemtic Name: N-tert-butyl-2-[4-(4-nitrophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(4-nitrophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-(4-nitrophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(4-nitrophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-(4-nosyl-1,4-diazepan-1-ium-1-yl)acetamide Formula: C17H27N4O5S+ MolecularWeight: 399.48508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O5S/c1-17(2,3)18-16(22)13-19-9-4-10-20(12-11-19)27(25,26)15-7-5-14(6-8-15)21(23)24/h5-8H,4,9-13H2,1-3H3,(H,18,22)/p+1