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

Systemtic Name: 4-methyl-1-[3-nitro-4-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]phenyl]sulfonyl-piperidine Openeye Name: 1-[4-(1-isopropyltetrazol-5-yl)sulfanyl-3-nitro-phenyl]sulfonyl-4-methyl-piperidine CAS Name: 4-methyl-1-[3-nitro-4-[(1-propan-2-yl-5-tetrazolyl)thio]phenyl]sulfonylpiperidine IUPAC Name: 4-methyl-1-[3-nitro-4-(1-propan-2-yltetrazol-5-yl)sulfanylphenyl]sulfonylpiperidine Traditional Name: 1-[4-[(1-isopropyltetrazol-5-yl)thio]-3-nitro-phenyl]sulfonyl-4-methyl-piperidine Formula: C16H22N6O4S2 MolecularWeight: 426.51368

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=NN3C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=NN3C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H22N6O4S2/c1-11(2)21-16(17-18-19-21)27-15-5-4-13(10-14(15)22(23)24)28(25,26)20-8-6-12(3)7-9-20/h4-5,10-12H,6-9H2,1-3H3