[(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [(3R)-chroman-3-yl]-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: [(3R)-3,4-dihydro-2H-1-benzopyran-3-yl]-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [(3R)-chroman-3-yl]-(4-tosylpiperazino)methanone Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC4=CC=CC=C4OC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)[C@@H]3CC4=CC=CC=C4OC3

InChI

InChI=1S/C21H24N2O4S/c1-16-6-8-19(9-7-16)28(25,26)23-12-10-22(11-13-23)21(24)18-14-17-4-2-3-5-20(17)27-15-18/h2-9,18H,10-15H2,1H3/t18-/m1/s1