N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-morpholinosulfonyl-2-nitro-phenyl)piperidine-4-carboxamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-4-piperidinecarboxamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-1-(4-morpholinosulfonyl-2-nitro-phenyl)isonipecotamide Formula: C20H26N6O6S3 MolecularWeight: 542.65204

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H26N6O6S3/c1-2-33-20-23-22-19(34-20)21-18(27)14-5-7-24(8-6-14)16-4-3-15(13-17(16)26(28)29)35(30,31)25-9-11-32-12-10-25/h3-4,13-14H,2,5-12H2,1H3,(H,21,22,27)