N2-(4-chlorophenyl)-6-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-(4-chlorophenyl)-6-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-6-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-6-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-6-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-s-triazin-2-yl]-(4-chlorophenyl)amine Formula: C18H21ClN7O2S2+ MolecularWeight: 466.98804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)N)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)N)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H20ClN7O2S2/c19-13-3-5-14(6-4-13)21-18-23-15(22-17(20)24-18)12-25-7-9-26(10-8-25)30(27,28)16-2-1-11-29-16/h1-6,11H,7-10,12H2,(H3,20,21,22,23,24)/p+1