1-[2-(4-nitrophenyl)sulfonylpiperazin-1-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol

Systemtic Name: 1-[2-(4-nitrophenyl)sulfonylpiperazin-1-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol Openeye Name: 1-[2-(4-nitrophenyl)sulfonylpiperazin-1-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol CAS Name: 1-[2-(4-nitrophenyl)sulfonyl-1-piperazinyl]-1-(1,2,4-triazol-1-yl)-2-butanol IUPAC Name: 1-[2-(4-nitrophenyl)sulfonylpiperazin-1-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol Traditional Name: 1-(2-nosylpiperazino)-1-(1,2,4-triazol-1-yl)butan-2-ol Formula: C16H22N6O5S MolecularWeight: 410.44808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(N1CCNCC1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])N3C=NC=N3)O

Isomeric SMILES

CCC(C(N1CCNCC1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])N3C=NC=N3)O

InChI

InChI=1S/C16H22N6O5S/c1-2-14(23)16(21-11-18-10-19-21)20-8-7-17-9-15(20)28(26,27)13-5-3-12(4-6-13)22(24)25/h3-6,10-11,14-17,23H,2,7-9H2,1H3