N-(2-cyclohexylsulfanylethyl)-2-[(4-nitrophenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-(2-cyclohexylsulfanylethyl)-2-[(4-nitrophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-4-nitro-anilino]-N-(2-cyclohexylsulfanylethyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[2-(cyclohexylthio)ethyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(2-cyclohexylsulfanylethyl)acetamide Traditional Name: 2-(N-besyl-4-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=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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