1-[7-(3-fluorophenyl)sulfonyl-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperazine

Systemtic Name: 1-[7-(3-fluorophenyl)sulfonyl-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperazine Openeye Name: 1-[7-(3-fluorophenyl)sulfonyl-2,2-dimethyl-chroman-4-yl]piperazine CAS Name: 1-[7-(3-fluorophenyl)sulfonyl-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]piperazine IUPAC Name: 1-[7-(3-fluorophenyl)sulfonyl-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperazine Traditional Name: 1-[7-(3-fluorophenyl)sulfonyl-2,2-dimethyl-chroman-4-yl]piperazine Formula: C21H25FN2O3S MolecularWeight: 404.498203

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(O1)C=C(C=C2)S(=O)(=O)C3=CC=CC(=C3)F)N4CCNCC4)C

Isomeric SMILES

CC1(CC(C2=C(O1)C=C(C=C2)S(=O)(=O)C3=CC=CC(=C3)F)N4CCNCC4)C

InChI

InChI=1S/C21H25FN2O3S/c1-21(2)14-19(24-10-8-23-9-11-24)18-7-6-17(13-20(18)27-21)28(25,26)16-5-3-4-15(22)12-16/h3-7,12-13,19,23H,8-11,14H2,1-2H3