4-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C18H25N5O4S3 MolecularWeight: 471.6172

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NC3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NC3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O4S3/c1-3-22(4-2)30(26,27)14-10-11-16(15(12-14)23(24)25)28-18-21-20-17(29-18)19-13-8-6-5-7-9-13/h10-13H,3-9H2,1-2H3,(H,19,20)