tert-butyl 4-[[4-[(6-chloranyl-3,4-dihydronaphthalen-2-yl)sulfonyl]-2-oxidanylidene-piperazin-1-yl]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-[(6-chloranyl-3,4-dihydronaphthalen-2-yl)sulfonyl]-2-oxidanylidene-piperazin-1-yl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-[(6-chloro-3,4-dihydronaphthalen-2-yl)sulfonyl]-2-oxo-piperazin-1-yl]methyl]piperidine-1-carboxylate CAS Name: 4-[[4-[(6-chloro-3,4-dihydronaphthalen-2-yl)sulfonyl]-2-oxo-1-piperazinyl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-[(6-chloro-3,4-dihydronaphthalen-2-yl)sulfonyl]-2-oxopiperazin-1-yl]methyl]piperidine-1-carboxylate Traditional Name: 4-[[4-[(6-chloro-3,4-dihydronaphthalen-2-yl)sulfonyl]-2-keto-piperazino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H34ClN3O5S MolecularWeight: 524.07256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(CC3)C=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(CC3)C=C(C=C4)Cl

InChI

InChI=1S/C25H34ClN3O5S/c1-25(2,3)34-24(31)27-10-8-18(9-11-27)16-28-12-13-29(17-23(28)30)35(32,33)22-7-5-19-14-21(26)6-4-20(19)15-22/h4,6,14-15,18H,5,7-13,16-17H2,1-3H3