N-[2-[(2-azanyl-5-fluoranyl-phenyl)-cyclohexyl-methyl]sulfanylethyl]-3,4-dimethoxy-benzenesulfonamide

Systemtic Name: N-[2-[(2-azanyl-5-fluoranyl-phenyl)-cyclohexyl-methyl]sulfanylethyl]-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[2-[(2-amino-5-fluoro-phenyl)-cyclohexyl-methyl]sulfanylethyl]-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[2-[[(2-amino-5-fluorophenyl)-cyclohexylmethyl]thio]ethyl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[2-[(2-amino-5-fluorophenyl)-cyclohexylmethyl]sulfanylethyl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[2-[[(2-amino-5-fluoro-phenyl)-cyclohexyl-methyl]thio]ethyl]-3,4-dimethoxy-benzenesulfonamide Formula: C23H31FN2O4S2 MolecularWeight: 482.631643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCSC(C2CCCCC2)C3=C(C=CC(=C3)F)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCSC(C2CCCCC2)C3=C(C=CC(=C3)F)N)OC

InChI

InChI=1S/C23H31FN2O4S2/c1-29-21-11-9-18(15-22(21)30-2)32(27,28)26-12-13-31-23(16-6-4-3-5-7-16)19-14-17(24)8-10-20(19)25/h8-11,14-16,23,26H,3-7,12-13,25H2,1-2H3