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

Systemtic Name: 2-[(3-nitrophenyl)-(phenylsulfonyl)amino]-N-(3-phenylsulfanylpropyl)ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-nitro-anilino]-N-(3-phenylsulfanylpropyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[3-(phenylthio)propyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(3-phenylsulfanylpropyl)acetamide Traditional Name: 2-(N-besyl-3-nitro-anilino)-N-[3-(phenylthio)propyl]acetamide Formula: C23H23N3O5S2 MolecularWeight: 485.57582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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