ethyl 1-(4-but-2-ynoxyphenyl)sulfonyl-4-[(4-fluorophenyl)carbamoyl]piperazine-2-carboxylate

Systemtic Name: ethyl 1-(4-but-2-ynoxyphenyl)sulfonyl-4-[(4-fluorophenyl)carbamoyl]piperazine-2-carboxylate Openeye Name: ethyl 1-(4-but-2-ynoxyphenyl)sulfonyl-4-[(4-fluorophenyl)carbamoyl]piperazine-2-carboxylate CAS Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-[(4-fluoroanilino)-oxomethyl]-2-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-but-2-ynoxyphenyl)sulfonyl-4-[(4-fluorophenyl)carbamoyl]piperazine-2-carboxylate Traditional Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-[(4-fluorophenyl)carbamoyl]piperazine-2-carboxylic acid ethyl ester Formula: C24H26FN3O6S MolecularWeight: 503.543143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)OCC#CC)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)OCC#CC)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C24H26FN3O6S/c1-3-5-16-34-20-10-12-21(13-11-20)35(31,32)28-15-14-27(17-22(28)23(29)33-4-2)24(30)26-19-8-6-18(25)7-9-19/h6-13,22H,4,14-17H2,1-2H3,(H,26,30)