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

Systemtic Name: 4-tert-butyl-N-[3-[2-[(4-methylphenyl)-methylsulfonyl-amino]propanoylamino]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[2-(4-methyl-N-methylsulfonyl-anilino)propanoylamino]phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[[2-(4-methyl-N-methylsulfonylanilino)-1-oxopropyl]amino]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[2-(4-methyl-N-methylsulfonylanilino)propanoylamino]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[2-(N-mesyl-4-methyl-anilino)propanoylamino]phenyl]benzamide Formula: C28H33N3O4S MolecularWeight: 507.64432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C28H33N3O4S/c1-19-10-16-25(17-11-19)31(36(6,34)35)20(2)26(32)29-23-8-7-9-24(18-23)30-27(33)21-12-14-22(15-13-21)28(3,4)5/h7-18,20H,1-6H3,(H,29,32)(H,30,33)