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

Systemtic Name: [(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [(3R)-chroman-3-yl]-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [(3R)-3,4-dihydro-2H-1-benzopyran-3-yl]-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [(3R)-chroman-3-yl]-(4-p-phenetylsulfonylpiperazino)methanone Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC4=CC=CC=C4OC3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)[C@@H]3CC4=CC=CC=C4OC3

InChI

InChI=1S/C22H26N2O5S/c1-2-28-19-7-9-20(10-8-19)30(26,27)24-13-11-23(12-14-24)22(25)18-15-17-5-3-4-6-21(17)29-16-18/h3-10,18H,2,11-16H2,1H3/t18-/m1/s1