N-(2-cyclopentylsulfanylethyl)-2-methyl-6-nitro-benzenesulfonamide

Systemtic Name: N-(2-cyclopentylsulfanylethyl)-2-methyl-6-nitro-benzenesulfonamide Openeye Name: N-(2-cyclopentylsulfanylethyl)-2-methyl-6-nitro-benzenesulfonamide CAS Name: N-[2-(cyclopentylthio)ethyl]-2-methyl-6-nitrobenzenesulfonamide IUPAC Name: N-(2-cyclopentylsulfanylethyl)-2-methyl-6-nitrobenzenesulfonamide Traditional Name: N-[2-(cyclopentylthio)ethyl]-2-methyl-6-nitro-benzenesulfonamide Formula: C14H20N2O4S2 MolecularWeight: 344.4496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])S(=O)(=O)NCCSC2CCCC2

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])S(=O)(=O)NCCSC2CCCC2

InChI

InChI=1S/C14H20N2O4S2/c1-11-5-4-8-13(16(17)18)14(11)22(19,20)15-9-10-21-12-6-2-3-7-12/h4-5,8,12,15H,2-3,6-7,9-10H2,1H3