2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenoxy]benzenecarbonitrile

Systemtic Name: 2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenoxy]benzenecarbonitrile Openeye Name: 2-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenoxy]benzonitrile CAS Name: 2-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenoxy]benzonitrile IUPAC Name: 2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenoxy]benzonitrile Traditional Name: 2-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenoxy]benzonitrile Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC=C3C#N)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC=C3C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O5S/c1-14-5-4-10-21(13-14)28(25,26)16-8-9-19(17(11-16)22(23)24)27-18-7-3-2-6-15(18)12-20/h2-3,6-9,11,14H,4-5,10,13H2,1H3/t14-/m0/s1