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

Systemtic Name: N-(3-bromophenyl)-4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]benzamide Openeye Name: N-(3-bromophenyl)-4-[ethyl-(4-methylsulfanylphenyl)sulfonyl-amino]benzamide CAS Name: N-(3-bromophenyl)-4-[ethyl-[4-(methylthio)phenyl]sulfonylamino]benzamide IUPAC Name: N-(3-bromophenyl)-4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide Traditional Name: N-(3-bromophenyl)-4-[ethyl-[4-(methylthio)phenyl]sulfonyl-amino]benzamide Formula: C22H21BrN2O3S2 MolecularWeight: 505.44774

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCN(C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H21BrN2O3S2/c1-3-25(30(27,28)21-13-11-20(29-2)12-14-21)19-9-7-16(8-10-19)22(26)24-18-6-4-5-17(23)15-18/h4-15H,3H2,1-2H3,(H,24,26)