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

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-nitro-anilino]-N-[2-(p-tolylsulfanyl)ethyl]acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[2-[(4-methylphenyl)thio]ethyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide Traditional Name: 2-(N-besyl-3-nitro-anilino)-N-[2-(p-tolylthio)ethyl]acetamide Formula: C23H23N3O5S2 MolecularWeight: 485.57582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O5S2/c1-18-10-12-21(13-11-18)32-15-14-24-23(27)17-25(19-6-5-7-20(16-19)26(28)29)33(30,31)22-8-3-2-4-9-22/h2-13,16H,14-15,17H2,1H3,(H,24,27)