1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-3-methyl-but-2-en-1-one

Systemtic Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-3-methyl-but-2-en-1-one Openeye Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-3-methyl-but-2-en-1-one CAS Name: 1-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-3-methyl-2-buten-1-one IUPAC Name: 1-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-3-methylbut-2-en-1-one Traditional Name: 1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]-3-methyl-but-2-en-1-one Formula: C16H21N3O6S MolecularWeight: 383.41944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C

Isomeric SMILES

CC(=CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C

InChI

InChI=1S/C16H21N3O6S/c1-12(2)10-16(20)17-6-8-18(9-7-17)26(23,24)13-4-5-15(25-3)14(11-13)19(21)22/h4-5,10-11H,6-9H2,1-3H3