tert-butyl 3-[1-chloranyl-1-(phenylsulfonyl)ethyl]-4-nitro-benzoate

Systemtic Name: tert-butyl 3-[1-chloranyl-1-(phenylsulfonyl)ethyl]-4-nitro-benzoate Openeye Name: tert-butyl 3-[1-(benzenesulfonyl)-1-chloro-ethyl]-4-nitro-benzoate CAS Name: 3-[1-(benzenesulfonyl)-1-chloroethyl]-4-nitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[1-(benzenesulfonyl)-1-chloroethyl]-4-nitrobenzoate Traditional Name: 3-(1-besyl-1-chloro-ethyl)-4-nitro-benzoic acid tert-butyl ester Formula: C19H20ClNO6S MolecularWeight: 425.8832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])C(C)(S(=O)(=O)C2=CC=CC=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])C(C)(S(=O)(=O)C2=CC=CC=C2)Cl

InChI

InChI=1S/C19H20ClNO6S/c1-18(2,3)27-17(22)13-10-11-16(21(23)24)15(12-13)19(4,20)28(25,26)14-8-6-5-7-9-14/h5-12H,1-4H3