[4-[methyl(thiophen-2-ylsulfonyl)amino]phenyl] 3-fluoranyl-4-methyl-benzenesulfonate

Systemtic Name: [4-[methyl(thiophen-2-ylsulfonyl)amino]phenyl] 3-fluoranyl-4-methyl-benzenesulfonate Openeye Name: [4-[methyl(2-thienylsulfonyl)amino]phenyl] 3-fluoro-4-methyl-benzenesulfonate CAS Name: 3-fluoro-4-methylbenzenesulfonic acid [4-[methyl(thiophen-2-ylsulfonyl)amino]phenyl] ester IUPAC Name: [4-[methyl(thiophen-2-ylsulfonyl)amino]phenyl] 3-fluoro-4-methylbenzenesulfonate Traditional Name: 3-fluoro-4-methyl-benzenesulfonic acid [4-[methyl(2-thienylsulfonyl)amino]phenyl] ester Formula: C18H16FNO5S3 MolecularWeight: 441.516743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=CS3)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=CS3)F

InChI

InChI=1S/C18H16FNO5S3/c1-13-5-10-16(12-17(13)19)28(23,24)25-15-8-6-14(7-9-15)20(2)27(21,22)18-4-3-11-26-18/h3-12H,1-2H3