N-[3-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]carbonylphenyl]methanesulfonamide

Systemtic Name: N-[3-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]carbonylphenyl]methanesulfonamide Openeye Name: N-[3-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazine-1-carbonyl]phenyl]methanesulfonamide CAS Name: N-[3-[[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-oxomethyl]phenyl]methanesulfonamide IUPAC Name: N-[3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]methanesulfonamide Traditional Name: N-[3-[4-(3-fluoro-4-methoxy-benzyl)piperazine-1-carbonyl]phenyl]methanesulfonamide Formula: C20H24FN3O4S MolecularWeight: 421.485663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)NS(=O)(=O)C)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)NS(=O)(=O)C)F

InChI

InChI=1S/C20H24FN3O4S/c1-28-19-7-6-15(12-18(19)21)14-23-8-10-24(11-9-23)20(25)16-4-3-5-17(13-16)22-29(2,26)27/h3-7,12-13,22H,8-11,14H2,1-2H3