Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(c1sc3c(c1)CCN(c2cccc(OC)c2)S3(=O)=O)N |
SMILES_CANONICAL | CACTVS | 3.341 | COc1cccc(c1)N2CCc3cc(sc3[S]2(=O)=O)[S](N)(=O)=O |
SMILES | CACTVS | 3.341 | COc1cccc(c1)N2CCc3cc(sc3[S]2(=O)=O)[S](N)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1cccc(c1)N2CCc3cc(sc3S2(=O)=O)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | COc1cccc(c1)N2CCc3cc(sc3S2(=O)=O)S(=O)(=O)N |
InChI | InChI | 1.03 | InChI=1S/C13H14N2O5S3/c1-20-11-4-2-3-10(8-11)15-6-5-9-7-12(22(14,16)17)21-13(9)23(15,18)19/h2-4,7-8H,5-6H2,1H3,(H2,14,16,17) |
InChIKey | InChI | 1.03 | ICIXQGGQPKFQRL-UHFFFAOYSA-N |