7ZJ
Summary
| Name: | N-(2-amino-1H-benzimidazol-5-yl)-2-[3-[(2-amino-2-oxoethyl)-methylsulfonylamino]phenyl]acetamide |
| Formula: | C18 H20 N6 O4 S |
| Formal charge: | 0 |
| Formula weight: | 416.454 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(2-azanyl-3~{H}-benzimidazol-5-yl)-2-[3-[(2-azanyl-2-oxidanylidene-ethyl)-methylsulfonyl-amino]phenyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H20N6O4S/c1-29(27,28)24(10-16(19)25)13-4-2-3-11(7-13)8-17(26)21-12-5-6-14-15(9-12)23-18(20)22-14/h2-7,9H,8,10H2,1H3,(H2,19,25)(H,21,26)(H3,20,22,23) |
| InChIKey | InChI | 1.03 | HJSXBGSJJLBQNX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)N(CC(N)=O)c1cccc(CC(=O)Nc2ccc3nc(N)[nH]c3c2)c1 |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)N(CC(N)=O)c1cccc(CC(=O)Nc2ccc3nc(N)[nH]c3c2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)N(CC(=O)N)c1cccc(c1)CC(=O)Nc2ccc3c(c2)[nH]c(n3)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)N(CC(=O)N)c1cccc(c1)CC(=O)Nc2ccc3c(c2)[nH]c(n3)N |
