N-[3-[2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]ethanoylamino]phenyl]-4-tert-butyl-benzamide

Systemtic Name: N-[3-[2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]ethanoylamino]phenyl]-4-tert-butyl-benzamide Openeye Name: N-[3-[[2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]acetyl]amino]phenyl]-4-tert-butyl-benzamide CAS Name: N-[3-[[2-[4-(1-adamantyl)-N-methylsulfonylanilino]-1-oxoethyl]amino]phenyl]-4-tert-butylbenzamide IUPAC Name: N-[3-[[2-[4-(1-adamantyl)-N-methylsulfonylanilino]acetyl]amino]phenyl]-4-tert-butylbenzamide Traditional Name: N-[3-[[2-[4-(1-adamantyl)-N-mesyl-anilino]acetyl]amino]phenyl]-4-tert-butyl-benzamide Formula: C36H43N3O4S MolecularWeight: 613.80932

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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)CN(C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)CN(C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5)S(=O)(=O)C

InChI

InChI=1S/C36H43N3O4S/c1-35(2,3)28-10-8-27(9-11-28)34(41)38-31-7-5-6-30(19-31)37-33(40)23-39(44(4,42)43)32-14-12-29(13-15-32)36-20-24-16-25(21-36)18-26(17-24)22-36/h5-15,19,24-26H,16-18,20-23H2,1-4H3,(H,37,40)(H,38,41)