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

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)sulfonyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-(2-chloro-5-nitro-phenyl)sulfonyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonyl-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]isonipecotamide Formula: C16H18ClN5O5S3 MolecularWeight: 491.99262

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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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN5O5S3/c1-2-28-16-20-19-15(29-16)18-14(23)10-5-7-21(8-6-10)30(26,27)13-9-11(22(24)25)3-4-12(13)17/h3-4,9-10H,2,5-8H2,1H3,(H,18,19,23)