N-(2-methoxyethyl)-5-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine

Systemtic Name: N-(2-methoxyethyl)-5-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-(2-methoxyethyl)-5-[2-nitro-4-(1-piperidylsulfonyl)phenyl]sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-(2-methoxyethyl)-5-[[2-nitro-4-(1-piperidinylsulfonyl)phenyl]thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(2-methoxyethyl)-5-(2-nitro-4-piperidin-1-ylsulfonylphenyl)sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: 2-methoxyethyl-[5-[(2-nitro-4-piperidinosulfonyl-phenyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C16H21N5O5S3 MolecularWeight: 459.56344

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O5S3/c1-26-10-7-17-15-18-19-16(28-15)27-14-6-5-12(11-13(14)21(22)23)29(24,25)20-8-3-2-4-9-20/h5-6,11H,2-4,7-10H2,1H3,(H,17,18)