phenyl 4-[2-(fluoranylamino)-1-(4-propan-2-ylsulfonylphenyl)ethyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[2-(fluoranylamino)-1-(4-propan-2-ylsulfonylphenyl)ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(fluoroamino)-1-(4-isopropylsulfonylphenyl)ethyl]piperazine-2-sulfonate CAS Name: 4-[2-(fluoroamino)-1-(4-propan-2-ylsulfonylphenyl)ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(fluoroamino)-1-(4-propan-2-ylsulfonylphenyl)ethyl]piperazine-2-sulfonate Traditional Name: 4-[2-(fluoroamino)-1-(4-isopropylsulfonylphenyl)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C21H28FN3O5S2 MolecularWeight: 485.592523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNF)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNF)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H28FN3O5S2/c1-16(2)31(26,27)19-10-8-17(9-11-19)20(14-24-22)25-13-12-23-21(15-25)32(28,29)30-18-6-4-3-5-7-18/h3-11,16,20-21,23-24H,12-15H2,1-2H3