methyl 4-[[4-(7-chloranyl-4-oxidanylidene-chromen-3-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]-1-ethanoyl-piperidine-4-carboxylate

Systemtic Name: methyl 4-[[4-(7-chloranyl-4-oxidanylidene-chromen-3-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]-1-ethanoyl-piperidine-4-carboxylate Openeye Name: methyl 1-acetyl-4-[[4-(7-chloro-4-oxo-chromen-3-yl)sulfonyl-2-oxo-piperazin-1-yl]methyl]piperidine-4-carboxylate CAS Name: 1-acetyl-4-[[4-[(7-chloro-4-oxo-1-benzopyran-3-yl)sulfonyl]-2-oxo-1-piperazinyl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-acetyl-4-[[4-(7-chloro-4-oxochromen-3-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-acetyl-4-[[4-(7-chloro-4-keto-chromen-3-yl)sulfonyl-2-keto-piperazino]methyl]isonipecotic acid methyl ester Formula: C23H26ClN3O8S MolecularWeight: 539.98584

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)(CN2CCN(CC2=O)S(=O)(=O)C3=COC4=C(C3=O)C=CC(=C4)Cl)C(=O)OC

Isomeric SMILES

CC(=O)N1CCC(CC1)(CN2CCN(CC2=O)S(=O)(=O)C3=COC4=C(C3=O)C=CC(=C4)Cl)C(=O)OC

InChI

InChI=1S/C23H26ClN3O8S/c1-15(28)25-7-5-23(6-8-25,22(31)34-2)14-26-9-10-27(12-20(26)29)36(32,33)19-13-35-18-11-16(24)3-4-17(18)21(19)30/h3-4,11,13H,5-10,12,14H2,1-2H3