N-[3-(4-methylphenyl)sulfanylpropyl]-2-[(4-nitrophenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-[3-(4-methylphenyl)sulfanylpropyl]-2-[(4-nitrophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-4-nitro-anilino]-N-[3-(p-tolylsulfanyl)propyl]acetamide CAS Name: 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-[(4-methylphenyl)thio]propyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(4-methylphenyl)sulfanylpropyl]acetamide Traditional Name: 2-(N-besyl-4-nitro-anilino)-N-[3-(p-tolylthio)propyl]acetamide Formula: C24H25N3O5S2 MolecularWeight: 499.6024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCNC(=O)CN(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SCCCNC(=O)CN(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H25N3O5S2/c1-19-8-14-22(15-9-19)33-17-5-16-25-24(28)18-26(20-10-12-21(13-11-20)27(29)30)34(31,32)23-6-3-2-4-7-23/h2-4,6-15H,5,16-18H2,1H3,(H,25,28)