4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]-N-(3-nitrophenyl)benzamide

Systemtic Name: 4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]-N-(3-nitrophenyl)benzamide Openeye Name: 4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]-N-(3-nitrophenyl)benzamide CAS Name: 4-[ethyl-[4-(methylthio)phenyl]sulfonylamino]-N-(3-nitrophenyl)benzamide IUPAC Name: 4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(3-nitrophenyl)benzamide Traditional Name: 4-[ethyl-[4-(methylthio)phenyl]sulfonyl-amino]-N-(3-nitrophenyl)benzamide Formula: C22H21N3O5S2 MolecularWeight: 471.54924

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCN(C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H21N3O5S2/c1-3-24(32(29,30)21-13-11-20(31-2)12-14-21)18-9-7-16(8-10-18)22(26)23-17-5-4-6-19(15-17)25(27)28/h4-15H,3H2,1-2H3,(H,23,26)