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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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