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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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