4-[[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]methyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]methyl]-6,7-dimethyl-coumarin Formula: C20H21ClN2O4S2 MolecularWeight: 452.97474

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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=C(S4)Cl)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Cl)C

InChI

InChI=1S/C20H21ClN2O4S2/c1-13-9-16-15(11-19(24)27-17(16)10-14(13)2)12-22-5-7-23(8-6-22)29(25,26)20-4-3-18(21)28-20/h3-4,9-11H,5-8,12H2,1-2H3