3-phenethyl-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine

Systemtic Name: 3-phenethyl-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Openeye Name: 3-phenethyl-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)thiazol-3-ium-2-amine CAS Name: 3-phenethyl-N-phenyl-4-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thiazol-3-iumamine IUPAC Name: 3-phenethyl-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Traditional Name: [3-phenethyl-4-(4-pyrrolidinosulfonylphenyl)thiazol-3-ium-2-yl]-phenyl-amine Formula: C27H28N3O2S2+ MolecularWeight: 490.66012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=[N+]3CCC4=CC=CC=C4)NC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=[N+]3CCC4=CC=CC=C4)NC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O2S2/c31-34(32,29-18-7-8-19-29)25-15-13-23(14-16-25)26-21-33-27(28-24-11-5-2-6-12-24)30(26)20-17-22-9-3-1-4-10-22/h1-6,9-16,21H,7-8,17-20H2/p+1