7-methoxy-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 7-methoxy-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one Openeye Name: 7-methoxy-4-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 7-methoxy-4-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one Traditional Name: 7-methoxy-4-[(4-tosylpiperazino)methyl]coumarin Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

InChI=1S/C22H24N2O5S/c1-16-3-6-19(7-4-16)30(26,27)24-11-9-23(10-12-24)15-17-13-22(25)29-21-14-18(28-2)5-8-20(17)21/h3-8,13-14H,9-12,15H2,1-2H3