3-methyl-1-[4-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)piperazin-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[4-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)piperazin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-(2-morpholinosulfonyl-4-nitro-phenyl)piperazin-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-[2-(4-morpholinylsulfonyl)-4-nitrophenyl]-1-piperazinyl]-1-butanone IUPAC Name: 3-methyl-1-[4-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperazin-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-(2-morpholinosulfonyl-4-nitro-phenyl)piperazino]butan-1-one Formula: C19H28N4O6S MolecularWeight: 440.51382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H28N4O6S/c1-15(2)13-19(24)21-7-5-20(6-8-21)17-4-3-16(23(25)26)14-18(17)30(27,28)22-9-11-29-12-10-22/h3-4,14-15H,5-13H2,1-2H3