N-tert-butyl-5-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbonyl-furan-2-sulfonamide

Systemtic Name: N-tert-butyl-5-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbonyl-furan-2-sulfonamide Openeye Name: N-tert-butyl-5-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbonyl]furan-2-sulfonamide CAS Name: N-tert-butyl-5-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-oxomethyl]-2-furansulfonamide IUPAC Name: N-tert-butyl-5-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbonyl]furan-2-sulfonamide Traditional Name: N-tert-butyl-5-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbonyl]furan-2-sulfonamide Formula: C19H23ClN4O6S MolecularWeight: 470.92712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC=C(O1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC=C(O1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H23ClN4O6S/c1-19(2,3)21-31(28,29)17-7-6-16(30-17)18(25)23-10-8-22(9-11-23)14-5-4-13(20)12-15(14)24(26)27/h4-7,12,21H,8-11H2,1-3H3