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

Systemtic Name: N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-2-[(4-nitrophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-4-nitro-anilino]-N-[2-(m-tolylmethylsulfanyl)ethyl]acetamide CAS Name: 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[2-[(3-methylphenyl)methylthio]ethyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]acetamide Traditional Name: 2-(N-besyl-4-nitro-anilino)-N-[2-[(3-methylbenzyl)thio]ethyl]acetamide Formula: C24H25N3O5S2 MolecularWeight: 499.6024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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