6-[4-(2-methylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydrochromen-2-one

Systemtic Name: 6-[4-(2-methylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydrochromen-2-one Openeye Name: 6-[4-(o-tolyl)piperazin-1-yl]sulfonylchroman-2-one CAS Name: 6-[[4-(2-methylphenyl)-1-piperazinyl]sulfonyl]-3,4-dihydro-2H-1-benzopyran-2-one IUPAC Name: 6-[4-(2-methylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydrochromen-2-one Traditional Name: 6-[4-(o-tolyl)piperazino]sulfonylchroman-2-one Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OC(=O)CC4

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OC(=O)CC4

InChI

InChI=1S/C20H22N2O4S/c1-15-4-2-3-5-18(15)21-10-12-22(13-11-21)27(24,25)17-7-8-19-16(14-17)6-9-20(23)26-19/h2-5,7-8,14H,6,9-13H2,1H3