N-(2-cyclohexylsulfanylethyl)-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-(2-cyclohexylsulfanylethyl)-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-nitro-anilino]-N-(2-cyclohexylsulfanylethyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[2-(cyclohexylthio)ethyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(2-cyclohexylsulfanylethyl)acetamide Traditional Name: 2-(N-besyl-3-nitro-anilino)-N-[2-(cyclohexylthio)ethyl]acetamide Formula: C22H27N3O5S2 MolecularWeight: 477.59688

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCCNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)SCCNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O5S2/c26-22(23-14-15-31-20-10-3-1-4-11-20)17-24(18-8-7-9-19(16-18)25(27)28)32(29,30)21-12-5-2-6-13-21/h2,5-9,12-13,16,20H,1,3-4,10-11,14-15,17H2,(H,23,26)