methyl 4-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]piperidine-4-carboxylate

Systemtic Name: methyl 4-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 4-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-piperazin-1-yl]methyl]piperidine-4-carboxylate CAS Name: 4-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-oxo-1-piperazinyl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]piperidine-4-carboxylate Traditional Name: 4-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-piperazino]methyl]isonipecotic acid methyl ester Formula: C22H26ClN3O5S MolecularWeight: 479.97694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O5S/c1-31-21(28)22(6-8-24-9-7-22)15-25-10-11-26(14-20(25)27)32(29,30)19-5-3-16-12-18(23)4-2-17(16)13-19/h2-5,12-13,24H,6-11,14-15H2,1H3