methyl 5-[4-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[(6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methyl]piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C21H21ClN2O6S2 MolecularWeight: 496.98424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)S(=O)(=O)C4=CC(=CS4)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)S(=O)(=O)C4=CC(=CS4)C(=O)OC)Cl

InChI

InChI=1S/C21H21ClN2O6S2/c1-13-7-18-16(10-17(13)22)14(8-19(25)30-18)11-23-3-5-24(6-4-23)32(27,28)20-9-15(12-31-20)21(26)29-2/h7-10,12H,3-6,11H2,1-2H3