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

Systemtic Name: N-tert-butyl-2-[4-[1,3-dimethyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(1,3-dimethyl-2,4-dioxo-pyrimidin-5-yl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)sulfonyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(2,4-diketo-1,3-dimethyl-pyrimidin-5-yl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Formula: C17H30N5O5S+ MolecularWeight: 416.5156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N5O5S/c1-17(2,3)18-14(23)12-21-7-6-8-22(10-9-21)28(26,27)13-11-19(4)16(25)20(5)15(13)24/h11H,6-10,12H2,1-5H3,(H,18,23)/p+1