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

Systemtic Name: 4-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]-N-methyl-3-nitro-benzenesulfonamide Formula: C15H19N5O4S3 MolecularWeight: 429.53746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N5O4S3/c1-16-27(23,24)11-7-8-13(12(9-11)20(21)22)25-15-19-18-14(26-15)17-10-5-3-2-4-6-10/h7-10,16H,2-6H2,1H3,(H,17,18)