1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(2-fluoranylphenoxy)propan-1-one

Systemtic Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(2-fluoranylphenoxy)propan-1-one Openeye Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenoxy)propan-1-one CAS Name: 1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-3-(2-fluorophenoxy)-1-propanone IUPAC Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenoxy)propan-1-one Traditional Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-3-(2-fluorophenoxy)propan-1-one Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCOC3=CC=CC=C3F)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCOC3=CC=CC=C3F)C

InChI

InChI=1S/C21H25FN2O4S/c1-16-7-8-18(15-17(16)2)29(26,27)24-12-10-23(11-13-24)21(25)9-14-28-20-6-4-3-5-19(20)22/h3-8,15H,9-14H2,1-2H3