(3S)-3-methyl-1-[3-nitro-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfonyl-piperidine

Systemtic Name: (3S)-3-methyl-1-[3-nitro-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfonyl-piperidine Openeye Name: (3S)-3-methyl-1-[3-nitro-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfonyl-piperidine CAS Name: (3S)-3-methyl-1-[3-nitro-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]phenyl]sulfonylpiperidine IUPAC Name: (3S)-3-methyl-1-[3-nitro-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfonylpiperidine Traditional Name: (3S)-3-methyl-1-[3-nitro-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]phenyl]sulfonyl-piperidine Formula: C20H21N5O4S2 MolecularWeight: 459.54184

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NNC(=N3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NNC(=N3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4S2/c1-14-6-5-11-24(13-14)31(28,29)16-9-10-18(17(12-16)25(26)27)30-20-21-19(22-23-20)15-7-3-2-4-8-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3,(H,21,22,23)/t14-/m0/s1