N-(3-nitro-5-phenylsulfanyl-phenyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide

Systemtic Name: N-(3-nitro-5-phenylsulfanyl-phenyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide Openeye Name: 2,4,6-triisopropyl-N-(3-nitro-5-phenylsulfanyl-phenyl)benzenesulfonamide CAS Name: N-[3-nitro-5-(phenylthio)phenyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide IUPAC Name: N-(3-nitro-5-phenylsulfanylphenyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide Traditional Name: 2,4,6-triisopropyl-N-[3-nitro-5-(phenylthio)phenyl]benzenesulfonamide Formula: C27H32N2O4S2 MolecularWeight: 512.68398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)NC2=CC(=CC(=C2)SC3=CC=CC=C3)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)NC2=CC(=CC(=C2)SC3=CC=CC=C3)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C27H32N2O4S2/c1-17(2)20-12-25(18(3)4)27(26(13-20)19(5)6)35(32,33)28-21-14-22(29(30)31)16-24(15-21)34-23-10-8-7-9-11-23/h7-19,28H,1-6H3