phenyl N-[2-(3-fluoranylpiperazin-1-yl)-2-(4-propan-2-ylsulfonylphenyl)ethyl]sulfamate

Systemtic Name: phenyl N-[2-(3-fluoranylpiperazin-1-yl)-2-(4-propan-2-ylsulfonylphenyl)ethyl]sulfamate Openeye Name: phenyl N-[2-(3-fluoropiperazin-1-yl)-2-(4-isopropylsulfonylphenyl)ethyl]sulfamate CAS Name: N-[2-(3-fluoro-1-piperazinyl)-2-(4-propan-2-ylsulfonylphenyl)ethyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[2-(3-fluoropiperazin-1-yl)-2-(4-propan-2-ylsulfonylphenyl)ethyl]sulfamate Traditional Name: N-[2-(3-fluoropiperazino)-2-(4-isopropylsulfonylphenyl)ethyl]sulfamic acid phenyl ester Formula: C21H28FN3O5S2 MolecularWeight: 485.592523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)F

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)F

InChI

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