N-(4-tert-butylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanamide

Systemtic Name: N-(4-tert-butylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanamide Openeye Name: N-(4-tert-butylphenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-yl]acetamide CAS Name: N-(4-tert-butylphenyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)acetamide IUPAC Name: N-(4-tert-butylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide Traditional Name: N-(4-tert-butylphenyl)-2-[4-(2-thienylsulfonyl)piperazino]acetamide Formula: C20H27N3O3S2 MolecularWeight: 421.57668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H27N3O3S2/c1-20(2,3)16-6-8-17(9-7-16)21-18(24)15-22-10-12-23(13-11-22)28(25,26)19-5-4-14-27-19/h4-9,14H,10-13,15H2,1-3H3,(H,21,24)