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

Systemtic Name: 2-[(4-nitrophenyl)-(phenylsulfonyl)amino]-N-(3-phenylsulfanylpropyl)ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-4-nitro-anilino]-N-(3-phenylsulfanylpropyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(phenylthio)propyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3-phenylsulfanylpropyl)acetamide Traditional Name: 2-(N-besyl-4-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=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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