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

Systemtic Name: methyl 4-[[4-[(7-chloranyl-2H-chromen-3-yl)sulfonyl]-2-oxidanylidene-piperazin-1-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 4-[[4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-2-oxo-piperazin-1-yl]methyl]piperidine-4-carboxylate CAS Name: 4-[[4-[(7-chloro-2H-1-benzopyran-3-yl)sulfonyl]-2-oxo-1-piperazinyl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-2-oxopiperazin-1-yl]methyl]piperidine-4-carboxylate Traditional Name: 4-[[4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-2-keto-piperazino]methyl]isonipecotic acid methyl ester Formula: C21H26ClN3O6S MolecularWeight: 483.96564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCNCC1)CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C(C=C4)Cl)OC3

Isomeric SMILES

COC(=O)C1(CCNCC1)CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C(C=C4)Cl)OC3

InChI

InChI=1S/C21H26ClN3O6S/c1-30-20(27)21(4-6-23-7-5-21)14-24-8-9-25(12-19(24)26)32(28,29)17-10-15-2-3-16(22)11-18(15)31-13-17/h2-3,10-11,23H,4-9,12-14H2,1H3