6,7-dimethyl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[4-(2-thienylsulfonyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[4-(2-thienylsulfonyl)piperazino]methyl]coumarin Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4)C

InChI

InChI=1S/C20H22N2O4S2/c1-14-10-17-16(12-19(23)26-18(17)11-15(14)2)13-21-5-7-22(8-6-21)28(24,25)20-4-3-9-27-20/h3-4,9-12H,5-8,13H2,1-2H3