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

Systemtic Name: methyl 4-[[4-[(7-chloranyl-2H-chromen-3-yl)sulfonyl]-2-oxidanylidene-piperazin-1-yl]methyl]-1-pyridin-4-yl-piperidine-4-carboxylate Openeye Name: methyl 4-[[4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-2-oxo-piperazin-1-yl]methyl]-1-(4-pyridyl)piperidine-4-carboxylate CAS Name: 4-[[4-[(7-chloro-2H-1-benzopyran-3-yl)sulfonyl]-2-oxo-1-piperazinyl]methyl]-1-pyridin-4-yl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-2-oxopiperazin-1-yl]methyl]-1-pyridin-4-ylpiperidine-4-carboxylate Traditional Name: 4-[[4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-2-keto-piperazino]methyl]-1-(4-pyridyl)isonipecotic acid methyl ester Formula: C26H29ClN4O6S MolecularWeight: 561.04966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C2=CC=NC=C2)CN3CCN(CC3=O)S(=O)(=O)C4=CC5=C(C=C(C=C5)Cl)OC4

Isomeric SMILES

COC(=O)C1(CCN(CC1)C2=CC=NC=C2)CN3CCN(CC3=O)S(=O)(=O)C4=CC5=C(C=C(C=C5)Cl)OC4

InChI

InChI=1S/C26H29ClN4O6S/c1-36-25(33)26(6-10-29(11-7-26)21-4-8-28-9-5-21)18-30-12-13-31(16-24(30)32)38(34,35)22-14-19-2-3-20(27)15-23(19)37-17-22/h2-5,8-9,14-15H,6-7,10-13,16-18H2,1H3