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

Systemtic Name: N-[3-(4-methylphenyl)sulfanylpropyl]-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-nitro-anilino]-N-[3-(p-tolylsulfanyl)propyl]acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[3-[(4-methylphenyl)thio]propyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[3-(4-methylphenyl)sulfanylpropyl]acetamide Traditional Name: 2-(N-besyl-3-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(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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