N-[2,6-di(propan-2-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanamide

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanamide Openeye Name: N-(2,6-diisopropylphenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-yl]acetamide CAS Name: N-[2,6-di(propan-2-yl)phenyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)acetamide IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide Traditional Name: N-(2,6-diisopropylphenyl)-2-[4-(2-thienylsulfonyl)piperazino]acetamide Formula: C22H31N3O3S2 MolecularWeight: 449.62984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O3S2/c1-16(2)18-7-5-8-19(17(3)4)22(18)23-20(26)15-24-10-12-25(13-11-24)30(27,28)21-9-6-14-29-21/h5-9,14,16-17H,10-13,15H2,1-4H3,(H,23,26)