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

Systemtic Name: 2-[2-[(2-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[[2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetyl]amino]benzamide CAS Name: 2-[[2-(2-ethoxy-N-[4-(methylthio)phenyl]sulfonylanilino)-1-oxoethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[[2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]amino]benzamide Traditional Name: N-benzyl-2-[[2-(2-ethoxy-N-[4-(methylthio)phenyl]sulfonyl-anilino)acetyl]amino]benzamide Formula: C31H31N3O5S2 MolecularWeight: 589.72494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N(CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)SC

Isomeric SMILES

CCOC1=CC=CC=C1N(CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C31H31N3O5S2/c1-3-39-29-16-10-9-15-28(29)34(41(37,38)25-19-17-24(40-2)18-20-25)22-30(35)33-27-14-8-7-13-26(27)31(36)32-21-23-11-5-4-6-12-23/h4-20H,3,21-22H2,1-2H3,(H,32,36)(H,33,35)