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

Systemtic Name: N-tert-butyl-2-[4-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[4-(2-oxo-1-pyrrolidinyl)phenyl]sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[4-(2-ketopyrrolidino)phenyl]sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Formula: C21H33N4O4S+ MolecularWeight: 437.57612

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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)N3CCCC3=O

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C21H32N4O4S/c1-21(2,3)22-19(26)16-23-11-5-12-24(15-14-23)30(28,29)18-9-7-17(8-10-18)25-13-4-6-20(25)27/h7-10H,4-6,11-16H2,1-3H3,(H,22,26)/p+1