7-[[4-(3-propylsulfonylphenyl)piperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 7-[[4-(3-propylsulfonylphenyl)piperazin-1-yl]methyl]chromen-2-one Openeye Name: 7-[[4-(3-propylsulfonylphenyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 7-[[4-(3-propylsulfonylphenyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-[[4-(3-propylsulfonylphenyl)piperazin-1-yl]methyl]chromen-2-one Traditional Name: 7-[[4-(3-propylsulfonylphenyl)piperazino]methyl]coumarin Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=CC(=C1)N2CCN(CC2)CC3=CC4=C(C=C3)C=CC(=O)O4

Isomeric SMILES

CCCS(=O)(=O)C1=CC=CC(=C1)N2CCN(CC2)CC3=CC4=C(C=C3)C=CC(=O)O4

InChI

InChI=1S/C23H26N2O4S/c1-2-14-30(27,28)21-5-3-4-20(16-21)25-12-10-24(11-13-25)17-18-6-7-19-8-9-23(26)29-22(19)15-18/h3-9,15-16H,2,10-14,17H2,1H3