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

Systemtic Name: methyl 4-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-piperazin-1-yl]methyl]cyclohexanecarboxylate CAS Name: 4-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-oxo-1-piperazinyl]methyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-piperazino]methyl]cyclohexanecarboxylic acid methyl ester Formula: C23H27ClN2O5S MolecularWeight: 478.98888

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1CCC(CC1)CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C23H27ClN2O5S/c1-31-23(28)17-4-2-16(3-5-17)14-25-10-11-26(15-22(25)27)32(29,30)21-9-7-18-12-20(24)8-6-19(18)13-21/h6-9,12-13,16-17H,2-5,10-11,14-15H2,1H3