N-tert-butyl-4-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitro-benzenesulfonamide Formula: C15H21N5O5S3 MolecularWeight: 447.55274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NCCOC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NCCOC)[N+](=O)[O-]

InChI

InChI=1S/C15H21N5O5S3/c1-15(2,3)19-28(23,24)10-5-6-12(11(9-10)20(21)22)26-14-18-17-13(27-14)16-7-8-25-4/h5-6,9,19H,7-8H2,1-4H3,(H,16,17)