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

Systemtic Name: 2-[2-[(2-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoylamino]-N-propyl-benzamide Openeye Name: 2-[[2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetyl]amino]-N-propyl-benzamide CAS Name: 2-[[2-(2-ethoxy-N-[4-(methylthio)phenyl]sulfonylanilino)-1-oxoethyl]amino]-N-propylbenzamide IUPAC Name: 2-[[2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]amino]-N-propylbenzamide Traditional Name: 2-[[2-(2-ethoxy-N-[4-(methylthio)phenyl]sulfonyl-anilino)acetyl]amino]-N-propyl-benzamide Formula: C27H31N3O5S2 MolecularWeight: 541.68214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O5S2/c1-4-18-28-27(32)22-10-6-7-11-23(22)29-26(31)19-30(24-12-8-9-13-25(24)35-5-2)37(33,34)21-16-14-20(36-3)15-17-21/h6-17H,4-5,18-19H2,1-3H3,(H,28,32)(H,29,31)