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

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C17H21N5O5S3 MolecularWeight: 471.57414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O5S3/c1-3-28-17-20-19-16(29-17)18-15(23)12-6-8-21(9-7-12)30(26,27)14-10-13(22(24)25)5-4-11(14)2/h4-5,10,12H,3,6-9H2,1-2H3,(H,18,19,23)