ethyl 4-[2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[3-[(4-fluorophenyl)methylsulfonyl]-1-indolyl]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[3-(4-fluorobenzyl)sulfonylindol-1-yl]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H26FN3O5S MolecularWeight: 487.543743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC4=CC=C(C=C4)F

InChI

InChI=1S/C24H26FN3O5S/c1-2-33-24(30)27-13-11-26(12-14-27)23(29)16-28-15-22(20-5-3-4-6-21(20)28)34(31,32)17-18-7-9-19(25)10-8-18/h3-10,15H,2,11-14,16-17H2,1H3