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

Systemtic Name: 4-tert-butyl-N-[3-[4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[4-(2,5-dimethyl-N-methylsulfonyl-anilino)butanoylamino]phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[[4-(2,5-dimethyl-N-methylsulfonylanilino)-1-oxobutyl]amino]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoylamino]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[4-(N-mesyl-2,5-dimethyl-anilino)butanoylamino]phenyl]benzamide Formula: C30H37N3O4S MolecularWeight: 535.69748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(CCCC(=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)C)N(CCCC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)S(=O)(=O)C

InChI

InChI=1S/C30H37N3O4S/c1-21-12-13-22(2)27(19-21)33(38(6,36)37)18-8-11-28(34)31-25-9-7-10-26(20-25)32-29(35)23-14-16-24(17-15-23)30(3,4)5/h7,9-10,12-17,19-20H,8,11,18H2,1-6H3,(H,31,34)(H,32,35)