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

Systemtic Name: 6-chloranyl-7-methyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[(4-tosylpiperazino)methyl]coumarin Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)OC4=CC(=C(C=C34)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)OC4=CC(=C(C=C34)Cl)C

InChI

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