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

Systemtic Name: 4-tert-butyl-N-[3-[2-[methylsulfonyl-(4-phenoxyphenyl)amino]propanoylamino]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[2-(N-methylsulfonyl-4-phenoxy-anilino)propanoylamino]phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[[2-(N-methylsulfonyl-4-phenoxyanilino)-1-oxopropyl]amino]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[2-(N-methylsulfonyl-4-phenoxyanilino)propanoylamino]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[2-(N-mesyl-4-phenoxy-anilino)propanoylamino]phenyl]benzamide Formula: C33H35N3O5S MolecularWeight: 585.7131

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C)N(C3=CC=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C)N(C3=CC=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C33H35N3O5S/c1-23(36(42(5,39)40)28-18-20-30(21-19-28)41-29-12-7-6-8-13-29)31(37)34-26-10-9-11-27(22-26)35-32(38)24-14-16-25(17-15-24)33(2,3)4/h6-23H,1-5H3,(H,34,37)(H,35,38)