N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]-1-methylsulfonyl-piperidin-4-amine

Systemtic Name: N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]-1-methylsulfonyl-piperidin-4-amine Openeye Name: N-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]-1-methylsulfonyl-piperidin-4-amine CAS Name: N-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]-1-methylsulfonyl-4-piperidinamine IUPAC Name: N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]-1-methylsulfonylpiperidin-4-amine Traditional Name: (1-mesyl-4-piperidyl)-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]amine Formula: C18H28N4O6S2 MolecularWeight: 460.56812

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC3CCN(CC3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC3CCN(CC3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H28N4O6S2/c1-14-4-3-9-21(13-14)30(27,28)16-5-6-17(18(12-16)22(23)24)19-15-7-10-20(11-8-15)29(2,25)26/h5-6,12,14-15,19H,3-4,7-11,13H2,1-2H3/t14-/m0/s1