3-[4-methyl-5-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-methyl-5-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-methyl-5-[2-nitro-4-(1-piperidylsulfonyl)phenyl]sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-methyl-5-[[2-nitro-4-(1-piperidinylsulfonyl)phenyl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-methyl-5-(2-nitro-4-piperidin-1-ylsulfonylphenyl)sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-methyl-5-[(2-nitro-4-piperidinosulfonyl-phenyl)thio]-1,2,4-triazol-3-yl]propionamide Formula: C17H22N6O5S2 MolecularWeight: 454.52378

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])CCC(=O)N

InChI

InChI=1S/C17H22N6O5S2/c1-21-16(8-7-15(18)24)19-20-17(21)29-14-6-5-12(11-13(14)23(25)26)30(27,28)22-9-3-2-4-10-22/h5-6,11H,2-4,7-10H2,1H3,(H2,18,24)