[2-[(butan-2-ylamino)methyl]-4-chloranyl-phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-[(butan-2-ylamino)methyl]-4-chloranyl-phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-chloro-2-[(sec-butylamino)methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-[(butan-2-ylamino)methyl]-4-chlorophenyl] ester IUPAC Name: [2-[(butan-2-ylamino)methyl]-4-chlorophenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-chloro-2-[(sec-butylamino)methyl]phenyl] ester Formula: C17H19ClFNO3S MolecularWeight: 371.854063

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCC(C)NCC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H19ClFNO3S/c1-3-12(2)20-11-13-10-14(18)4-9-17(13)23-24(21,22)16-7-5-15(19)6-8-16/h4-10,12,20H,3,11H2,1-2H3