1-[4-[(1-methylsulfonylpiperidin-4-yl)amino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[(1-methylsulfonylpiperidin-4-yl)amino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[(1-methylsulfonyl-4-piperidyl)amino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[(1-methylsulfonyl-4-piperidinyl)amino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[(1-methylsulfonylpiperidin-4-yl)amino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[(1-mesyl-4-piperidyl)amino]-3-nitro-phenyl]ethanone Formula: C14H19N3O5S MolecularWeight: 341.38276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NC2CCN(CC2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NC2CCN(CC2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O5S/c1-10(18)11-3-4-13(14(9-11)17(19)20)15-12-5-7-16(8-6-12)23(2,21)22/h3-4,9,12,15H,5-8H2,1-2H3