2-[(4-nitrophenyl)-(phenylsulfonyl)amino]-N-[3-(phenylmethylsulfanyl)propyl]ethanamide

Systemtic Name: 2-[(4-nitrophenyl)-(phenylsulfonyl)amino]-N-[3-(phenylmethylsulfanyl)propyl]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-4-nitro-anilino]-N-(3-benzylsulfanylpropyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(phenylmethylthio)propyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3-benzylsulfanylpropyl)acetamide Traditional Name: N-[3-(benzylthio)propyl]-2-(N-besyl-4-nitro-anilino)acetamide Formula: C24H25N3O5S2 MolecularWeight: 499.6024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O5S2/c28-24(25-16-7-17-33-19-20-8-3-1-4-9-20)18-26(21-12-14-22(15-13-21)27(29)30)34(31,32)23-10-5-2-6-11-23/h1-6,8-15H,7,16-19H2,(H,25,28)