3-[[4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylamino]propyl-dimethyl-ammonium CAS Name: 3-[[4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]sulfonylamino]propyl-dimethylammonium IUPAC Name: 3-[[4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]sulfonylamino]propyl-dimethylazanium Traditional Name: 3-[[4-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]sulfonylamino]propyl-dimethyl-ammonium Formula: C22H33N6O4S2+ MolecularWeight: 509.66522

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2CC=C)C3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCCNS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2CC=C)C3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H32N6O4S2/c1-4-14-27-21(17-9-6-5-7-10-17)24-25-22(27)33-20-12-11-18(16-19(20)28(29)30)34(31,32)23-13-8-15-26(2)3/h4,11-12,16-17,23H,1,5-10,13-15H2,2-3H3/p+1