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

Systemtic Name: (3S)-3-methyl-1-[3-nitro-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfonyl-piperidine Openeye Name: (3S)-1-[4-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonyl-3-methyl-piperidine CAS Name: (3S)-3-methyl-1-[3-nitro-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]phenyl]sulfonylpiperidine IUPAC Name: (3S)-3-methyl-1-[3-nitro-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfonylpiperidine Traditional Name: (3S)-1-[4-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]sulfonyl-3-methyl-piperidine Formula: C17H23N5O4S2 MolecularWeight: 425.52562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O4S2/c1-11(2)16-18-17(20-19-16)27-15-7-6-13(9-14(15)22(23)24)28(25,26)21-8-4-5-12(3)10-21/h6-7,9,11-12H,4-5,8,10H2,1-3H3,(H,18,19,20)/t12-/m0/s1