N-[3-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide

Systemtic Name: N-[3-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide Openeye Name: N-[3-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-3-oxo-propyl]benzenesulfonamide CAS Name: N-[3-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-3-oxopropyl]benzenesulfonamide IUPAC Name: N-[3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzenesulfonamide Traditional Name: N-[3-[4-(3-fluoro-4-methoxy-benzyl)piperazino]-3-keto-propyl]benzenesulfonamide Formula: C21H26FN3O4S MolecularWeight: 435.512243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O4S/c1-29-20-8-7-17(15-19(20)22)16-24-11-13-25(14-12-24)21(26)9-10-23-30(27,28)18-5-3-2-4-6-18/h2-8,15,23H,9-14,16H2,1H3