N2-phenyl-6-[(1S)-1-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-phenyl-6-[(1S)-1-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-phenyl-6-[(1S)-1-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-phenyl-6-[(1S)-1-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)ethyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-phenyl-6-[(1S)-1-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(1S)-1-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethyl]-s-triazin-2-yl]-phenyl-amine Formula: C19H24N7O2S2+ MolecularWeight: 446.56956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NC(=N1)NC2=CC=CC=C2)N)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C[C@@H](C1=NC(=NC(=N1)NC2=CC=CC=C2)N)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H23N7O2S2/c1-14(17-22-18(20)24-19(23-17)21-15-6-3-2-4-7-15)25-9-11-26(12-10-25)30(27,28)16-8-5-13-29-16/h2-8,13-14H,9-12H2,1H3,(H3,20,21,22,23,24)/p+1/t14-/m0/s1