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

Systemtic Name: 3,3-dimethyl-1-[4-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperazin-1-yl]butan-1-one Openeye Name: 3,3-dimethyl-1-[4-(4-morpholinosulfonyl-2-nitro-phenyl)piperazin-1-yl]butan-1-one CAS Name: 3,3-dimethyl-1-[4-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-1-piperazinyl]-1-butanone IUPAC Name: 3,3-dimethyl-1-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]butan-1-one Traditional Name: 3,3-dimethyl-1-[4-(4-morpholinosulfonyl-2-nitro-phenyl)piperazino]butan-1-one Formula: C20H30N4O6S MolecularWeight: 454.5404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O6S/c1-20(2,3)15-19(25)22-8-6-21(7-9-22)17-5-4-16(14-18(17)24(26)27)31(28,29)23-10-12-30-13-11-23/h4-5,14H,6-13,15H2,1-3H3