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

Systemtic Name: 2-[(3-nitrophenyl)-(phenylsulfonyl)amino]-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-nitro-anilino]-N-(2-benzylsulfanylethyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[2-(phenylmethylthio)ethyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(2-benzylsulfanylethyl)acetamide Traditional Name: N-[2-(benzylthio)ethyl]-2-(N-besyl-3-nitro-anilino)acetamide Formula: C23H23N3O5S2 MolecularWeight: 485.57582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O5S2/c27-23(24-14-15-32-18-19-8-3-1-4-9-19)17-25(20-10-7-11-21(16-20)26(28)29)33(30,31)22-12-5-2-6-13-22/h1-13,16H,14-15,17-18H2,(H,24,27)