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

Systemtic Name: N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperidin-1-amine Openeye Name: N-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]piperidin-1-amine CAS Name: N-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]-1-piperidinamine IUPAC Name: N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]piperidin-1-amine Traditional Name: [4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]-piperidino-amine Formula: C17H26N4O4S MolecularWeight: 382.47774

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NN3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NN3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H26N4O4S/c1-14-6-5-11-20(13-14)26(24,25)15-7-8-16(17(12-15)21(22)23)18-19-9-3-2-4-10-19/h7-8,12,14,18H,2-6,9-11,13H2,1H3/t14-/m0/s1