4-tert-butyl-N-[3-[2-[(4-ethoxyphenyl)-methylsulfonyl-amino]propanoylamino]phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-[2-[(4-ethoxyphenyl)-methylsulfonyl-amino]propanoylamino]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[2-(4-ethoxy-N-methylsulfonyl-anilino)propanoylamino]phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[[2-(4-ethoxy-N-methylsulfonylanilino)-1-oxopropyl]amino]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[2-(4-ethoxy-N-methylsulfonylanilino)propanoylamino]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[2-(4-ethoxy-N-mesyl-anilino)propanoylamino]phenyl]benzamide Formula: C29H35N3O5S MolecularWeight: 537.6703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(C(C)C(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N(C(C)C(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)S(=O)(=O)C

InChI

InChI=1S/C29H35N3O5S/c1-7-37-26-17-15-25(16-18-26)32(38(6,35)36)20(2)27(33)30-23-9-8-10-24(19-23)31-28(34)21-11-13-22(14-12-21)29(3,4)5/h8-20H,7H2,1-6H3,(H,30,33)(H,31,34)