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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-chromen-3-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (6-chlorochroman-3-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (6-chloro-3,4-dihydro-2H-1-benzopyran-3-yl)-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (6-chlorochroman-3-yl)-(4-p-phenetylsulfonylpiperazino)methanone Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C22H25ClN2O5S/c1-2-29-19-4-6-20(7-5-19)31(27,28)25-11-9-24(10-12-25)22(26)17-13-16-14-18(23)3-8-21(16)30-15-17/h3-8,14,17H,2,9-13,15H2,1H3