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

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

Isomeric SMILES

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

InChI

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