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

Systemtic Name: 4-tert-butyl-N-[3-[2-[(3-chlorophenyl)-methylsulfonyl-amino]propanoylamino]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[2-(3-chloro-N-methylsulfonyl-anilino)propanoylamino]phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[[2-(3-chloro-N-methylsulfonylanilino)-1-oxopropyl]amino]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[2-(3-chloro-N-methylsulfonylanilino)propanoylamino]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[2-(3-chloro-N-mesyl-anilino)propanoylamino]phenyl]benzamide Formula: C27H30ClN3O4S MolecularWeight: 528.0628

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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(=CC=C3)Cl)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(=CC=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C27H30ClN3O4S/c1-18(31(36(5,34)35)24-11-6-8-21(28)16-24)25(32)29-22-9-7-10-23(17-22)30-26(33)19-12-14-20(15-13-19)27(2,3)4/h6-18H,1-5H3,(H,29,32)(H,30,33)