1-[4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylpiperidine

Systemtic Name: 1-[4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylpiperidine Openeye Name: 1-[4-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylpiperidine CAS Name: 1-[4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]sulfonylpiperidine IUPAC Name: 1-[4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]sulfonylpiperidine Traditional Name: 1-[4-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]sulfonylpiperidine Formula: C22H29N5O4S2 MolecularWeight: 491.62676

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])C4CCCCC4

Isomeric SMILES

C=CCN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])C4CCCCC4

InChI

InChI=1S/C22H29N5O4S2/c1-2-13-26-21(17-9-5-3-6-10-17)23-24-22(26)32-20-12-11-18(16-19(20)27(28)29)33(30,31)25-14-7-4-8-15-25/h2,11-12,16-17H,1,3-10,13-15H2