N-butan-2-yl-2-[2-[(2-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoylamino]benzamide

Systemtic Name: N-butan-2-yl-2-[2-[(2-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoylamino]benzamide Openeye Name: 2-[[2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetyl]amino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-[[2-(2-ethoxy-N-[4-(methylthio)phenyl]sulfonylanilino)-1-oxoethyl]amino]benzamide IUPAC Name: N-butan-2-yl-2-[[2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]amino]benzamide Traditional Name: 2-[[2-(2-ethoxy-N-[4-(methylthio)phenyl]sulfonyl-anilino)acetyl]amino]-N-sec-butyl-benzamide Formula: C28H33N3O5S2 MolecularWeight: 555.70872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=CC=C2OCC)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=CC=C2OCC)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C28H33N3O5S2/c1-5-20(3)29-28(33)23-11-7-8-12-24(23)30-27(32)19-31(25-13-9-10-14-26(25)36-6-2)38(34,35)22-17-15-21(37-4)16-18-22/h7-18,20H,5-6,19H2,1-4H3,(H,29,33)(H,30,32)