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

Systemtic Name: [(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [(3R)-chroman-3-yl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [(3R)-3,4-dihydro-2H-1-benzopyran-3-yl]-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [(3R)-chroman-3-yl]-[4-(2,4-dimethylphenyl)sulfonylpiperazino]methanone Formula: C22H26N2O4S MolecularWeight: 414.51784

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-16-7-8-21(17(2)13-16)29(26,27)24-11-9-23(10-12-24)22(25)19-14-18-5-3-4-6-20(18)28-15-19/h3-8,13,19H,9-12,14-15H2,1-2H3/t19-/m1/s1