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

Systemtic Name: N2-(2-methoxyphenyl)-6-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(2-methoxyphenyl)-6-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(2-methoxyphenyl)-6-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(2-methoxyphenyl)-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]-(2-methoxyphenyl)amine Formula: C19H24N7O3S2+ MolecularWeight: 462.56896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H23N7O3S2/c1-29-15-6-3-2-5-14(15)21-19-23-16(22-18(20)24-19)13-25-8-10-26(11-9-25)31(27,28)17-7-4-12-30-17/h2-7,12H,8-11,13H2,1H3,(H3,20,21,22,23,24)/p+1