N-tert-butyl-2-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanamide

Systemtic Name: N-tert-butyl-2-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-ium-1-yl)ethanamide Openeye Name: N-tert-butyl-2-[4-(2-thienylsulfonyl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide IUPAC Name: N-tert-butyl-2-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-ium-1-yl)acetamide Traditional Name: N-tert-butyl-2-[4-(2-thienylsulfonyl)-1,4-diazepan-1-ium-1-yl]acetamide Formula: C15H26N3O3S2+ MolecularWeight: 360.51524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C15H25N3O3S2/c1-15(2,3)16-13(19)12-17-7-5-8-18(10-9-17)23(20,21)14-6-4-11-22-14/h4,6,11H,5,7-10,12H2,1-3H3,(H,16,19)/p+1