4-[4-(azepan-1-ylsulfonyl)phenyl]-N,3-diphenyl-1,3-thiazol-3-ium-2-amine

Systemtic Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-N,3-diphenyl-1,3-thiazol-3-ium-2-amine Openeye Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-N,3-diphenyl-thiazol-3-ium-2-amine CAS Name: 4-[4-(1-azepanylsulfonyl)phenyl]-N,3-diphenyl-2-thiazol-3-iumamine IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-N,3-diphenyl-1,3-thiazol-3-ium-2-amine Traditional Name: [4-[4-(azepan-1-ylsulfonyl)phenyl]-3-phenyl-thiazol-3-ium-2-yl]-phenyl-amine Formula: C27H28N3O2S2+ MolecularWeight: 490.66012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=[N+]3C4=CC=CC=C4)NC5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=[N+]3C4=CC=CC=C4)NC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O2S2/c31-34(32,29-19-9-1-2-10-20-29)25-17-15-22(16-18-25)26-21-33-27(28-23-11-5-3-6-12-23)30(26)24-13-7-4-8-14-24/h3-8,11-18,21H,1-2,9-10,19-20H2/p+1