7,8-dimethyl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[[4-(2-thienylsulfonyl)piperazin-1-yl]methyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]chromen-2-one Traditional Name: 7,8-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(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4)C

InChI

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