4-tert-butyl-N-[3-[2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]propanoylamino]phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-[2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]propanoylamino]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[2-(3,5-dimethyl-N-methylsulfonyl-anilino)propanoylamino]phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[[2-(3,5-dimethyl-N-methylsulfonylanilino)-1-oxopropyl]amino]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[2-(3,5-dimethyl-N-methylsulfonylanilino)propanoylamino]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[2-(N-mesyl-3,5-dimethyl-anilino)propanoylamino]phenyl]benzamide Formula: C29H35N3O4S MolecularWeight: 521.6709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=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)C

Isomeric SMILES

CC1=CC(=CC(=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)C

InChI

InChI=1S/C29H35N3O4S/c1-19-15-20(2)17-26(16-19)32(37(7,35)36)21(3)27(33)30-24-9-8-10-25(18-24)31-28(34)22-11-13-23(14-12-22)29(4,5)6/h8-18,21H,1-7H3,(H,30,33)(H,31,34)