N-tert-butyl-4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-3-nitro-benzenesulfonamide Formula: C17H23N5O4S2 MolecularWeight: 425.52562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NNC(=N2)C3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NNC(=N2)C3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O4S2/c1-17(2,3)21-28(25,26)12-8-9-14(13(10-12)22(23)24)27-16-18-15(19-20-16)11-6-4-5-7-11/h8-11,21H,4-7H2,1-3H3,(H,18,19,20)