4-tert-butyl-N-[3-[4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]butanoylamino]phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-[4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]butanoylamino]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[4-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)butanoylamino]phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[[4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-1-oxobutyl]amino]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[4-(3-chloro-4-methoxy-N-methylsulfonylanilino)butanoylamino]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[4-(3-chloro-N-mesyl-4-methoxy-anilino)butanoylamino]phenyl]benzamide Formula: C29H34ClN3O5S MolecularWeight: 572.11536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)CCCN(C3=CC(=C(C=C3)OC)Cl)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)CCCN(C3=CC(=C(C=C3)OC)Cl)S(=O)(=O)C

InChI

InChI=1S/C29H34ClN3O5S/c1-29(2,3)21-13-11-20(12-14-21)28(35)32-23-9-6-8-22(18-23)31-27(34)10-7-17-33(39(5,36)37)24-15-16-26(38-4)25(30)19-24/h6,8-9,11-16,18-19H,7,10,17H2,1-5H3,(H,31,34)(H,32,35)