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

Systemtic Name: methyl 4-[[4-[(7-chloranyl-2H-chromen-3-yl)sulfonyl]-2-oxidanylidene-piperazin-1-yl]methyl]-1-ethanoyl-piperidine-4-carboxylate Openeye Name: methyl 1-acetyl-4-[[4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-2-oxo-piperazin-1-yl]methyl]piperidine-4-carboxylate CAS Name: 1-acetyl-4-[[4-[(7-chloro-2H-1-benzopyran-3-yl)sulfonyl]-2-oxo-1-piperazinyl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-acetyl-4-[[4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-2-oxopiperazin-1-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-acetyl-4-[[4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-2-keto-piperazino]methyl]isonipecotic acid methyl ester Formula: C23H28ClN3O7S MolecularWeight: 526.00232

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)(CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C(C=C4)Cl)OC3)C(=O)OC

Isomeric SMILES

CC(=O)N1CCC(CC1)(CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C(C=C4)Cl)OC3)C(=O)OC

InChI

InChI=1S/C23H28ClN3O7S/c1-16(28)25-7-5-23(6-8-25,22(30)33-2)15-26-9-10-27(13-21(26)29)35(31,32)19-11-17-3-4-18(24)12-20(17)34-14-19/h3-4,11-12H,5-10,13-15H2,1-2H3