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

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

Systemtic Name:3-methyl-1-[4-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]butan-1-one
Openeye Name:3-methyl-1-[4-[4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]piperazin-1-yl]butan-1-one
CAS Name:3-methyl-1-[4-[4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-1-piperazinyl]-1-butanone
IUPAC Name:3-methyl-1-[4-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]piperazin-1-yl]butan-1-one
Traditional Name:3-methyl-1-[4-[4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]piperazino]butan-1-one
Formula: C21H32N4O5S
MolecularWeight: 452.56758
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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CC(C)C)[N+](=O)[O-]


Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CC(C)C)[N+](=O)[O-]


InChI

InChI=1S/C21H32N4O5S/c1-16(2)13-21(26)23-11-9-22(10-12-23)19-7-6-18(14-20(19)25(27)28)31(29,30)24-8-4-5-17(3)15-24/h6-7,14,16-17H,4-5,8-13,15H2,1-3H3


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