1-(4-but-2-ynoxyphenyl)sulfonyl-4-[(4-fluorophenyl)carbamoyl]piperazine-2-carboxylic acid

Systemtic Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-[(4-fluorophenyl)carbamoyl]piperazine-2-carboxylic acid Openeye Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-[(4-fluorophenyl)carbamoyl]piperazine-2-carboxylic acid CAS Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-[(4-fluoroanilino)-oxomethyl]-2-piperazinecarboxylic acid IUPAC Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-[(4-fluorophenyl)carbamoyl]piperazine-2-carboxylic acid Traditional Name: 1-(4-but-2-ynoxyphenyl)sulfonyl-4-[(4-fluorophenyl)carbamoyl]piperazine-2-carboxylic acid Formula: C22H22FN3O6S MolecularWeight: 475.489983

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)O)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)O)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C22H22FN3O6S/c1-2-3-14-32-18-8-10-19(11-9-18)33(30,31)26-13-12-25(15-20(26)21(27)28)22(29)24-17-6-4-16(23)5-7-17/h4-11,20H,12-15H2,1H3,(H,24,29)(H,27,28)