4-[[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]methyl]-7,8-dimethyl-coumarin Formula: C20H21ClN2O4S2 MolecularWeight: 452.97474

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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=C(S4)Cl)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Cl)C

InChI

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