N-cyclohexyl-2-[[4-(2-methylpropylsulfanyl)-3-nitro-phenyl]sulfonylamino]ethanamide

Systemtic Name: N-cyclohexyl-2-[[4-(2-methylpropylsulfanyl)-3-nitro-phenyl]sulfonylamino]ethanamide Openeye Name: N-cyclohexyl-2-[(4-isobutylsulfanyl-3-nitro-phenyl)sulfonylamino]acetamide CAS Name: N-cyclohexyl-2-[[4-(2-methylpropylthio)-3-nitrophenyl]sulfonylamino]acetamide IUPAC Name: N-cyclohexyl-2-[[4-(2-methylpropylsulfanyl)-3-nitrophenyl]sulfonylamino]acetamide Traditional Name: N-cyclohexyl-2-[[4-(isobutylthio)-3-nitro-phenyl]sulfonylamino]acetamide Formula: C18H27N3O5S2 MolecularWeight: 429.55408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)NC2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)NC2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O5S2/c1-13(2)12-27-17-9-8-15(10-16(17)21(23)24)28(25,26)19-11-18(22)20-14-6-4-3-5-7-14/h8-10,13-14,19H,3-7,11-12H2,1-2H3,(H,20,22)