N-[2,6-di(propan-2-yl)phenyl]-2-[4-[2-[(7-methylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethyl]piperazin-1-yl]ethanamide

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-2-[4-[2-[(7-methylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethyl]piperazin-1-yl]ethanamide Openeye Name: N-(2,6-diisopropylphenyl)-2-[4-[2-[(7-methylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethyl]piperazin-1-yl]acetamide CAS Name: N-[2,6-di(propan-2-yl)phenyl]-2-[4-[2-[(7-methylsulfonyl-1,3-benzoxazol-2-yl)thio]ethyl]-1-piperazinyl]acetamide IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-2-[4-[2-[(7-methylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethyl]piperazin-1-yl]acetamide Traditional Name: N-(2,6-diisopropylphenyl)-2-[4-[2-[(7-mesyl-1,3-benzoxazol-2-yl)thio]ethyl]piperazino]acetamide Formula: C28H38N4O4S2 MolecularWeight: 558.75572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CN2CCN(CC2)CCSC3=NC4=C(O3)C(=CC=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CN2CCN(CC2)CCSC3=NC4=C(O3)C(=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C28H38N4O4S2/c1-19(2)21-8-6-9-22(20(3)4)26(21)30-25(33)18-32-14-12-31(13-15-32)16-17-37-28-29-23-10-7-11-24(27(23)36-28)38(5,34)35/h6-11,19-20H,12-18H2,1-5H3,(H,30,33)