6-chloranyl-7-ethyl-4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-ethyl-4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-6-chloro-7-ethyl-chromen-2-one CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-6-chloro-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-6-chloro-7-ethylchromen-2-one Traditional Name: 4-[(4-besylpiperazino)methyl]-6-chloro-7-ethyl-coumarin Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H23ClN2O4S/c1-2-16-12-21-19(14-20(16)23)17(13-22(26)29-21)15-24-8-10-25(11-9-24)30(27,28)18-6-4-3-5-7-18/h3-7,12-14H,2,8-11,15H2,1H3