2-[4-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-1,4-diazepan-1-ium-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[4-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-1,4-diazepan-1-ium-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[4-[[5-(acetamidomethyl)-2-thienyl]sulfonyl]-1,4-diazepan-1-ium-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-[[5-(acetamidomethyl)-2-thiophenyl]sulfonyl]-1,4-diazepan-1-ium-1-yl]-N-tert-butylacetamide IUPAC Name: 2-[4-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-1,4-diazepan-1-ium-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-[[5-(acetamidomethyl)-2-thienyl]sulfonyl]-1,4-diazepan-1-ium-1-yl]-N-tert-butyl-acetamide Formula: C18H31N4O4S2+ MolecularWeight: 431.59314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(S1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

CC(=O)NCC1=CC=C(S1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)NC(C)(C)C

InChI

InChI=1S/C18H30N4O4S2/c1-14(23)19-12-15-6-7-17(27-15)28(25,26)22-9-5-8-21(10-11-22)13-16(24)20-18(2,3)4/h6-7H,5,8-13H2,1-4H3,(H,19,23)(H,20,24)/p+1