tert-butyl 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetate CAS Name: 2-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetate Traditional Name: 2-[4-(2-nitrophenyl)sulfonylpiperazino]acetic acid tert-butyl ester Formula: C16H23N3O6S MolecularWeight: 385.43532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O6S/c1-16(2,3)25-15(20)12-17-8-10-18(11-9-17)26(23,24)14-7-5-4-6-13(14)19(21)22/h4-7H,8-12H2,1-3H3