methyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-piperidin-4-ylcarbonyl-piperazine-2-carboxylate

Systemtic Name: methyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-piperidin-4-ylcarbonyl-piperazine-2-carboxylate Openeye Name: methyl 4-[(6-chloro-2-naphthyl)sulfonyl]-1-(piperidine-4-carbonyl)piperazine-2-carboxylate CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[oxo(4-piperidinyl)methyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(piperidine-4-carbonyl)piperazine-2-carboxylate Traditional Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-1-isonipecotoyl-piperazine-2-carboxylic acid methyl ester Formula: C22H26ClN3O5S MolecularWeight: 479.97694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1C(=O)C2CCNCC2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1CN(CCN1C(=O)C2CCNCC2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

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