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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NNC(=N3)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)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)27-15-5-4-13(10-14(15)22(23)24)28(25,26)21-8-6-12(3)7-9-21/h4-5,10-12H,6-9H2,1-3H3,(H,18,19,20)