[(3R)-6-chloranyl-3,4-dihydro-2H-chromen-3-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [(3R)-6-chloranyl-3,4-dihydro-2H-chromen-3-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [(3R)-6-chlorochroman-3-yl]-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: [(3R)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-yl]-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [(3R)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [(3R)-6-chlorochroman-3-yl]-(4-tosylpiperazino)methanone Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)[C@@H]3CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C21H23ClN2O4S/c1-15-2-5-19(6-3-15)29(26,27)24-10-8-23(9-11-24)21(25)17-12-16-13-18(22)4-7-20(16)28-14-17/h2-7,13,17H,8-12,14H2,1H3/t17-/m1/s1