2-(2,4-ditert-butylphenoxy)-N-[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: 2-(2,4-ditert-butylphenoxy)-N-[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-2-(2,4-ditert-butylphenoxy)acetamide CAS Name: 2-(2,4-ditert-butylphenoxy)-N-[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-2-(2,4-ditert-butylphenoxy)acetamide Traditional Name: N-[4-(4-benzhydrylpiperazino)sulfonylphenyl]-2-(2,4-ditert-butylphenoxy)acetamide Formula: C39H47N3O4S MolecularWeight: 653.87318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C(C)(C)C

InChI

InChI=1S/C39H47N3O4S/c1-38(2,3)31-17-22-35(34(27-31)39(4,5)6)46-28-36(43)40-32-18-20-33(21-19-32)47(44,45)42-25-23-41(24-26-42)37(29-13-9-7-10-14-29)30-15-11-8-12-16-30/h7-22,27,37H,23-26,28H2,1-6H3,(H,40,43)