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

Systemtic Name: N-[4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenoxy]phenyl]ethanamide Openeye Name: N-[4-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenoxy]phenyl]acetamide CAS Name: N-[4-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenoxy]phenyl]acetamide IUPAC Name: N-[4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenoxy]phenyl]acetamide Traditional Name: N-[4-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenoxy]phenyl]acetamide Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6S/c1-14-4-3-11-22(13-14)30(27,28)18-9-10-20(19(12-18)23(25)26)29-17-7-5-16(6-8-17)21-15(2)24/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,21,24)/t14-/m0/s1